SCHEMBL5359247

SCHEMBL5359247

[c]1ccc(CCc2ncc[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 9/20 0.46
TERT O14746 1/20 0.43
TBXAS1 P24557 2/20 0.40
ALOX15 P16050 1/20 0.39
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
FDPS P14324 1/20 0.34

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
SCHEMBL5362554 0.89 TBXAS1 (0.45) TAAR1TERTTBXAS1ALOX15CYP2D6
SCHEMBL1037250 0.83 TAAR1 (0.67) TAAR1TERTALOX15CYP2D6TSHR
SCHEMBL8671514 0.81 TAAR1 (0.65) TAAR1TERTALOX15CYP2D6TSHR
SCHEMBL570036 0.81 TAAR1 (0.69) TAAR1TERTTBXAS1CYP2D6TSHR
SCHEMBL285224 0.79 TERT (0.59) TAAR1TERTTBXAS1ALOX15CYP2D6
Hydrochloric Acid SCHEMBL1846181 0.79 TAAR1 (0.67) TAAR1TERTTBXAS1CYP2D6TSHR
SCHEMBL11291665 0.78 TAAR1 (0.47) TAAR1TERTTBXAS1ALOX15CYP2D6
SCHEMBL4033229 0.78 GFER (0.52) TAAR1TERTTBXAS1ALOX15SMN1; SMN2
SCHEMBL11411805 0.78 ESR1 (0.52) TAAR1TERTTBXAS1ALOX15CYP2D6
SCHEMBL11295456 0.78 TAAR1 (0.50) TAAR1TERTTBXAS1ALOX15SMN1; SMN2

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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007135417-A1 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2007-11-29 WO claimed
EP-2772514-B1 RUBBER COMPOSITION, AND PNEUMATIC TIRE SUMITOMO RUBBER IND (JP) 2017-08-16 EP disclosed
EP-2772515-B1 RUBBER COMPOSITION AND PNEUMATIC TIRE SUMITOMO RUBBER IND (JP) 2017-03-01 EP disclosed
EP-2787031-B1 RUBBER COMPOSITION AND PNEUMATIC TIRE SUMITOMO RUBBER IND (JP) 2016-12-14 EP disclosed
EP-2749593-B1 RUBBER COMPOSITION AND PNEUMATIC TIRE SUMITOMO RUBBER IND (JP) 2016-09-21 EP disclosed
EP-2787032-B1 RUBBER COMPOSITION AND PNEUMATIC TIRE SUMITOMO RUBBER IND (JP) 2016-09-14 EP disclosed
US-9428641-B2 Rubber composition, and pneumatic tire SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2016-08-30 US disclosed
EP-2738210-B1 RUBBER COMPOSITION AND PNEUMATIC TIRE SUMITOMO RUBBER IND (JP) 2016-08-10 EP disclosed
EP-2749594-B1 RUBBER COMPOSITION AND STUDLESS TIRE SUMITOMO RUBBER IND (JP) 2016-06-08 EP disclosed
EP-2772511-B1 RUBBER COMPOSITION, AND PNEUMATIC TIRE SUMITOMO RUBBER IND (JP) 2016-06-08 EP disclosed
EP-2749592-A1 RUBBER COMPOSITION AND PNEUMATIC TIRE Sumitomo Rubber Industries, Ltd. (JP) 2014-07-02 EP disclosed
EP-2749594-A1 RUBBER COMPOSITION AND STUDLESS TIRE Sumitomo Rubber Industries, Ltd. (JP) 2014-07-02 EP disclosed
EP-2738210-A1 RUBBER COMPOSITION AND PNEUMATIC TIRE Sumitomo Rubber Industries, Ltd. (JP) 2014-06-04 EP disclosed
US-20140114014-A1 RUBBER COMPOSITION AND PNEUMATIC TIRE SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2014-04-24 US disclosed
CN-103732672-A Rubber composition and pneumatic tire SUMITOMO RUBBER IND 2014-04-16 CN disclosed
US-20140088242-A1 METHOD FOR PRODUCING MODIFIED CONJUGATED DIENE-BASED POLYMER, AND METHOD FOR PRODUCING POLYMER COMPOSITION ZEON CORPORATION (JP) 2014-03-27 US disclosed
US-8598274-B2 Method for producing modified conjugated diene-based polymer, and method for producing vulcanized polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-12-03 US disclosed
US-20130018151-A1 METHOD FOR PRODUCING MODIFIED CONJUGATED DIENE-BASED POLYMER, AND METHOD FOR PRODUCING VULCANIZED POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-01-17 US disclosed
CN-102875732-A Method for producing modified conjugated diene-based polymer, and method for producing vulcanized polymer SUMITOMO CHEMICAL CO 2013-01-16 CN disclosed
WO-2007135417-A1 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2007-11-29 WO disclosed