SCHEMBL3354433

SCHEMBL3354433

C=Cc1ccc(CCN(CCCCCCCCCC)CCCCCCCCCC)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.50
OPRM1 P35372 3/20 0.50
DRD3 P35462 3/20 0.50
OPRD1 P41143 3/20 0.50
OPRK1 P41145 3/20 0.50
KCNH2 Q12809 7/20 0.49
THRA P10827 3/20 0.44
THRB P10828 3/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL3356607 1.00 DRD2 (0.50) DRD2OPRM1DRD3OPRD1OPRK1
SCHEMBL3359329 1.00 DRD2 (0.50) DRD2OPRM1DRD3OPRD1OPRK1
SCHEMBL3357223 0.98 DRD2 (0.49) DRD2OPRM1DRD3OPRD1OPRK1
SCHEMBL607260 0.93 DRD2 (0.48) DRD2OPRM1DRD3OPRD1OPRK1
SCHEMBL3356585 0.87 KCNH2 (0.53) DRD2OPRM1DRD3OPRD1OPRK1
SCHEMBL610732 0.86 DRD2 (0.50) DRD2OPRM1DRD3OPRD1OPRK1
SCHEMBL3356622 0.86 SIGMAR1 (0.50) KCNH2THRATHRBCA1CA2
SCHEMBL3358150 0.86 SIGMAR1 (0.50) KCNH2THRATHRBCA1CA2
SCHEMBL14889203 0.85 MAPT (0.53) KCNH2CA1CA2
SCHEMBL696971 0.85 MAPT (0.53) KCNH2CA1CA2

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-101724127-A Polymer, rubber composition and tire using the same SUMITOMO RUBBER IND 2010-06-09 CN 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
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