SCHEMBL21065764

SCHEMBL21065764

[CH2]CCN(CCC)CCC.[LiH]

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.32
DRD2 P14416 2/20 0.31
DRD3 P35462 2/20 0.31
HTR1A P08908 1/20 0.31
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
DRD1 P21728 1/20 0.30
DRD4 P21917 1/20 0.30
DRD5 P21918 1/20 0.30
ADRA1D P25100 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL131833 0.97 HRH3 (0.33) HRH3DRD2DRD3HTR1ACA12
SCHEMBL28275916 0.88 KCNH2 (0.31) HRH3
SCHEMBL3373345 0.86 CA12 (0.34) CA12CA9
SCHEMBL736317 0.85
SCHEMBL27752324 0.83 HRH3 (0.36) HRH3DRD2DRD3HTR1ACA12
SCHEMBL28199223 0.82 HRH3 (0.30) HRH3
SCHEMBL21065731 0.82 CA12 (0.36) DRD2DRD3CA12CA9TSHR
SCHEMBL21065766 0.80 DNM1 (0.42) DRD2DRD3CA12CA2CA9
SCHEMBL27752329 0.79 HRH3 (0.38) HRH3DRD2DRD3HTR1ACA12
SCHEMBL2729745 0.79 HRH3 (0.41) HRH3DRD2DRD3HTR1ACA12

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109563180-B Modified conjugated diene polymer, method for producing same, rubber composition, and tire 旭化成株式会社 2022-01-07 CN 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
US-11091609-B2 Modified conjugated diene-based polymer, production method thereof, rubber composition and tire ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-08-17 US disclosed
EP-3502144-B1 MODIFIED CONJUGATED DIENE-BASED POLYMER, PRODUCTION METHOD THEREOF, RUBBER COMPOSITION AND TIRE ASAHI CHEMICAL IND (JP) 2021-06-02 EP 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
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
US-20190203021-A1 Modified Conjugated Diene-Based Polymer, Production Method Thereof, Rubber Composition and Tire ASAHI KASEI KABUSHIKI KAISHA (JP) 2019-07-04 US disclosed
EP-3502144-A1 MODIFIED CONJUGATED DIENE POLYMER, METHOD FOR PRODUCING SAME, RUBBER COMPOSITION, AND TIRE ASAHI KASEI KABUSHIKI KAISHA (JP) 2019-06-26 EP disclosed
CN-109563180-A MODIFIED CONJUGATED DIENE POLYMER, METHOD FOR PRODUCING SAME, RUBBER COMPOSITION, AND TIRE 旭化成株式会社 2019-04-02 CN disclosed
CN-109384981-A Modified conjugated diene rubber composition and tire 旭化成株式会社 2019-02-26 CN disclosed
CN-109384982-A Modified conjugated diene polymer composition and tire 旭化成株式会社 2019-02-26 CN disclosed
CN-108164645-A MODIFIED CONJUGATED DIENE POLYMER, MODIFIED CONJUGATED DIENE POLYMER COMPOSITION AND TIRE 旭化成株式会社 2018-06-15 CN disclosed