SCHEMBL3356681

SCHEMBL3356681

C=Cc1ccc(CCN(C)CCC)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.45
HRH3 Q9Y5N1 2/20 0.40
ALDH1A1 P00352 2/20 0.39
KCNH2 Q12809 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36

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
SCHEMBL3359358 0.90 SIGMAR1 (0.45) SIGMAR1ALDH1A1KCNH2CYP1A2CYP3A4
SCHEMBL3358825 0.87 ALDH1A1 (0.41) SIGMAR1HRH3ALDH1A1KCNH2CYP1A2
SCHEMBL3358150 0.87 SIGMAR1 (0.50) SIGMAR1ALDH1A1KCNH2CYP3A4THRA
SCHEMBL3356622 0.87 SIGMAR1 (0.50) SIGMAR1ALDH1A1KCNH2CYP3A4THRA
SCHEMBL3360067 0.86 SIGMAR1 (0.56) SIGMAR1ALDH1A1KCNH2TAAR1
SCHEMBL11442805 0.84 CARM1 (0.41) SIGMAR1HRH3ALDH1A1KCNH2CYP1A2
SCHEMBL18868380 0.84 PYCR1 (0.43) SIGMAR1HRH3ALDH1A1MEN1MAPT
SCHEMBL610732 0.84 DRD2 (0.50) HRH3ALDH1A1CYP3A4CYP2D6PMP22
SCHEMBL213342 0.81 HRH3 (0.59) SIGMAR1HRH3ALDH1A1KCNH2TAAR1
Hydrochloric Acid SCHEMBL31234736 0.79 HRH3 (0.57) SIGMAR1HRH3ALDH1A1KCNH2TAAR1

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 13 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
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-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