SCHEMBL3356121

SCHEMBL3356121

C=Cc1ccc(CCN(CCc2ccccc2)Cc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 7/20 0.53
OPRM1 P35372 6/20 0.53
OPRD1 P41143 6/20 0.53
BCHE P06276 7/20 0.45
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TAAR1 Q96RJ0 1/20 0.41
CASP1 P29466 1/20 0.39

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
SCHEMBL3356598 0.97 OPRK1 (0.49) OPRK1OPRM1OPRD1BCHEALDH1A1
SCHEMBL3356627 0.91 BCHE (0.50) OPRK1OPRM1OPRD1BCHE
SCHEMBL3356576 0.90 BCHE (0.54) OPRK1OPRM1OPRD1BCHE
SCHEMBL9634709 0.87 ALDH1A1 (0.52) ALDH1A1TSHRL3MBTL1
SCHEMBL18493252 0.87 ALDH1A1 (0.52) ALDH1A1TSHRL3MBTL1
SCHEMBL13049987 0.85 OPRK1 (0.67) OPRK1OPRM1OPRD1BCHEL3MBTL1
SCHEMBL3360495 0.83 SIGMAR1 (0.54) ALDH1A1TSHRTAAR1
SCHEMBL14047033 0.83 OPRK1 (0.69) OPRK1OPRM1OPRD1BCHEALDH1A1
SCHEMBL13051057 0.82 ALDH1A1 (0.46) ALDH1A1TSHR
SCHEMBL3357025 0.82 TSHR (0.46) OPRM1BCHEALDH1A1TSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2177562-B1 Polymer, rubber composition and tire using the same SUMITOMO RUBBER IND (JP) 2014-05-14 EP disclosed
EP-2184318-B1 Rubber composition and tire SUMITOMO RUBBER IND (JP) 2014-03-19 EP disclosed
US-8431644-B2 Rubber composition and tire SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2013-04-30 US disclosed
EP-2182028-B1 Rubber composition and tire SUMITOMO RUBBER IND (JP) 2012-12-12 EP disclosed
EP-2184318-A2 Rubber composition and tire Sumitomo Rubber Industries, Ltd. (JP) 2010-05-12 EP disclosed
EP-2182028-A1 Rubber composition and tire Sumitomo Rubber Industries, Ltd. (JP) 2010-05-05 EP disclosed
US-20100105826-A1 RUBBER COMPOSITION AND TIRE SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2010-04-29 US disclosed
US-20100099810-A1 POLYMER, RUBBER COMPOSITION AND TIRE USING THE SAME SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2010-04-22 US disclosed
US-20100099795-A1 RUBBER COMPOSITION AND TIRE SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2010-04-22 US disclosed
EP-2177562-A2 Polymer, rubber composition and tire using the same Sumitomo Rubber Industries, Ltd. (JP) 2010-04-21 EP disclosed