SCHEMBL15901629

SCHEMBL15901629

CCC(N)CCc1cccc(CCCl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.36
TAAR1 Q96RJ0 4/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
MASP2 O00187 1/20 0.34
SLC6A2 P23975 2/20 0.33
MAOA P21397 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
AOC3 Q16853 1/20 0.33
CYP2A6 P11509 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 0.33
CYP2D6 P10635 1/20 0.33
NOS3 P29474 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15901705 0.90 PNMT (0.36) PNMTTAAR1IDO1TDO2MASP2
SCHEMBL24288749 0.81 TAAR1 (0.56) TAAR1IDO1
SCHEMBL552963 0.79 TAAR1 (0.55) TAAR1IDO1MAOASIGMAR1CYP2D6
SCHEMBL15901628 0.79 IDO1 (0.38) PNMTTAAR1IDO1TDO2MASP2
SCHEMBL13452965 0.77 ANPEP (0.48) TAAR1SLC6A2MAOASLC6A4SLC6A3
SCHEMBL1148969 0.77 ANPEP (0.48) TAAR1SLC6A2MAOASLC6A4SLC6A3
SCHEMBL4323451 0.77 ANPEP (0.48) TAAR1SLC6A2MAOASLC6A4SLC6A3
SCHEMBL8897767 0.77 MEN1 (0.48) PNMTTAAR1MAOAAOC3NOS1
Hydrochloric Acid SCHEMBL7614131 0.76 ANPEP (0.47) TAAR1IDO1TDO2SLC6A2MAOA
SCHEMBL15907626 0.74 PNMT (0.53) PNMTTAAR1IDO1SIGMAR1CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11248064-B2 Conjugated diene polymer, conjugated diene polymer composition, and tire JAPAN ELASTOMER CO., LTD. (JP) 2022-02-15 US disclosed
CN-110167977-B Conjugated diene polymer, conjugated diene polymer composition, and tire 日本弹性体株式会社 2021-11-16 CN disclosed
CN-109476778-B Modified conjugated diene polymer, modified conjugated diene polymer composition, tire, and method for producing modified conjugated diene polymer 日本弹性体株式会社 2021-05-11 CN disclosed
EP-3581597-B1 CONJUGATED DIENE POLYMER, CONJUGATED DIENE POLYMER COMPOSITION, AND TIRE JAPAN ELASTOMER CO LTD (JP) 2021-05-05 EP disclosed
CN-107250172-B Modified conjugated diene polymer, method for producing same, and modified conjugated diene polymer composition 旭化成株式会社 2021-04-09 CN disclosed
CN-109384982-B Modified conjugated diene polymer composition and tire 旭化成株式会社 2020-11-17 CN disclosed
EP-3517552-B1 MODIFIED CONJUGATED DIENE POLYMER, MODIFIED CONJUGATED DIENE POLYMER COMPOSITION, TIRE, AND METHOD FOR PRODUCING MODIFIED CONJUGATED DIENE POLYMER JAPAN ELASTOMER CO LTD (JP) 2020-11-11 EP disclosed
US-10822446-B2 Modified conjugated diene polymer, modified conjugated diene polymer composition, tire, and method for producing modified conjugated diene polymer JAPAN ELASTOMER CO., LTD. (JP) 2020-11-03 US disclosed
US-10766972-B2 Modified conjugated diene-based polymer and method for producing the same, and modified conjugated diene-based polymer composition ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-09-08 US disclosed
EP-3517552-A1 MODIFIED CONJUGATED DIENE POLYMER, MODIFIED CONJUGATED DIENE POLYMER COMPOSITION, TIRE, AND METHOD FOR PRODUCING MODIFIED CONJUGATED DIENE POLYMER Japan Elastomer Co., Ltd. (JP) 2019-07-31 EP disclosed
EP-3260476-B1 MODIFIED CONJUGATED DIENE-BASED POLYMER, MANUFACTURING METHOD THEREOF, AND MODIFIED CONJUGATED DIENE-BASED POLYMER COMPOSITION ASAHI CHEMICAL IND (JP) 2019-05-08 EP disclosed
US-20180037674-A1 Modified Conjugated Diene-Based Polymer and Method for Producing the Same, and Modified Conjugated Diene-Based Polymer Composition ASAHI KASEI KABUSHIKI KAISHA (JP) 2018-02-08 US disclosed
EP-3260476-A1 MODIFIED CONJUGATED DIENE-BASED POLYMER, MANUFACTURING METHOD THEREOF, AND MODIFIED CONJUGATED DIENE-BASED POLYMER COMPOSITION Asahi Kasei Kabushiki Kaisha (JP) 2017-12-27 EP disclosed
US-9085653-B2 Method for producing modified conjugated diene-based polymer, modified conjugated diene-based polymer, modified conjugated diene-based polymer composition, rubber composition and tire ASAHI KASEI CHEMICALS CORPORATION (JP) 2015-07-21 US disclosed
EP-2754674-B1 METHOD FOR PRODUCING MODIFIED CONJUGATED DIENE POLYMER, MODIFIED CONJUGATED DIENE POLYMER, MODIFIED CONJUGATED DIENE POLYMER COMPOSITION, RUBBER COMPOSITION, AND TIRE ASAHI KASEI CHEMICALS CORP (JP) 2015-03-11 EP disclosed
US-20140213721-A1 Method for Producing Modified Conjugated Diene-Based Polymer, Modified Conjugated Diene-Based Polymer, Modified Conjugated Diene-Based Polymer Composition, Rubber Composition and Tire ASAHI KASEI CHEMICALS CORPORATION (JP) 2014-07-31 US disclosed