SCHEMBL3359355

SCHEMBL3359355

C=Cc1ccc(CCNC(C)CCC)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
OPRK1 P41145 3/20 0.47
SIGMAR1 Q99720 6/20 0.43
LMNA P02545 4/20 0.43
ADRB2 P07550 4/20 0.43
SLC6A2 P23975 3/20 0.43
SLC6A4 P31645 3/20 0.43
OPRM1 P35372 3/20 0.43
HIF1A Q16665 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPK1 P28482 2/20 0.43
ADRB1 P08588 2/20 0.43
ADRA1A P35348 2/20 0.43
SLC6A3 Q01959 2/20 0.43
CYP2D6 P10635 2/20 0.43
SLC22A1 O15245 1/20 0.43
CA12 O43570 1/20 0.43
EGFR P00533 1/20 0.43
CA1 P00915 1/20 0.43

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
SCHEMBL3356618 0.90 HTT (0.46) HTTSMN1; SMN2OPRK1SIGMAR1LMNA
SCHEMBL3358147 0.88 HTT (0.44) HTTSMN1; SMN2OPRK1SIGMAR1LMNA
SCHEMBL3356678 0.87 SIGMAR1 (0.45) HTTSMN1; SMN2OPRK1SIGMAR1LMNA
SCHEMBL3356581 0.83 TAS1R3 (0.48) HTTSMN1; SMN2OPRK1SIGMAR1LMNA
SCHEMBL9617576 0.82 LMNA (0.42) HTTSMN1; SMN2OPRK1SIGMAR1LMNA
SCHEMBL30666100 0.79 HTT (0.53) HTTSMN1; SMN2OPRK1SIGMAR1LMNA
SCHEMBL25588044 0.79 HTT (0.53) HTTSMN1; SMN2OPRK1SIGMAR1LMNA
SCHEMBL28873445 0.78 SIGMAR1 (0.68) HTTSMN1; SMN2OPRK1SIGMAR1CYP1A2
SCHEMBL3358821 0.75 SIGMAR1 (0.44) SIGMAR1HTR2AKCNH2TAS1R3TAS1R1
SCHEMBL52038 0.73 ALDH1A1 (0.52) CA2TSHRTAS1R3TAS1R1MEN1

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-20100099795-A1 RUBBER COMPOSITION AND TIRE SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2010-04-22 US disclosed
US-20100099810-A1 POLYMER, RUBBER COMPOSITION AND TIRE USING THE SAME 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