SCHEMBL3356576

SCHEMBL3356576

C=Cc1ccc(CCN(CCCC)Cc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.54
OPRM1 P35372 6/20 0.50
OPRD1 P41143 5/20 0.50
OPRK1 P41145 5/20 0.50
DRD3 P35462 4/20 0.50
DRD2 P14416 3/20 0.50
MAPT P10636 1/20 0.49
KCNH2 Q12809 2/20 0.46
CHRM2 P08172 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
CHRM1 P11229 1/20 0.44
DRD1 P21728 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
ADRA1A P35348 1/20 0.44
SLC6A3 Q01959 1/20 0.44

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
SCHEMBL3356121 0.90 OPRK1 (0.53) BCHEOPRM1OPRD1OPRK1
SCHEMBL611367 0.88 MAPT (0.61) BCHEMAPTKCNH2
SCHEMBL3356627 0.87 BCHE (0.50) BCHEOPRM1OPRD1OPRK1DRD3
SCHEMBL3356598 0.87 OPRK1 (0.49) BCHEOPRM1OPRD1OPRK1
SCHEMBL607260 0.87 DRD2 (0.48) OPRM1OPRD1OPRK1DRD3DRD2
SCHEMBL18493203 0.85 MAPT (0.56) BCHEMAPTKCNH2
SCHEMBL3356585 0.84 KCNH2 (0.53) OPRM1OPRD1OPRK1DRD3DRD2
SCHEMBL14889187 0.84 MAPT (0.54) MAPTKCNH2
SCHEMBL3357223 0.82 DRD2 (0.49) OPRM1OPRD1OPRK1DRD3DRD2
SCHEMBL696971 0.82 MAPT (0.53) MAPTKCNH2

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 15 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
CN-101724185-B Rubber composition and tire SUMITOMO RUBBER IND 2013-10-23 CN disclosed
CN-101724184-B Rubber composition and tire SUMITOMO RUBBER IND 2013-05-01 CN 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
CN-101724184-A Rubber composition and tire SUMITOMO RUBBER IND 2010-06-09 CN disclosed
CN-101724185-A Rubber composition and tire SUMITOMO RUBBER IND 2010-06-09 CN disclosed
CN-101724127-A Polymer, rubber composition and tire using the same SUMITOMO RUBBER IND 2010-06-09 CN 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