SCHEMBL7700751

SCHEMBL7700751

N#CC1(c2cncc(Br)c2)CC2CCC(C1)N2Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KCNH2 Q12809 6/20 0.39
OPRK1 P41145 4/20 0.39
OPRM1 P35372 4/20 0.38
CHRM2 P08172 2/20 0.35
CHRM3 P20309 1/20 0.35
CHRM4 P08173 2/20 0.35
CHRM5 P08912 1/20 0.35
RET P07949 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
ROCK2 O75116 1/20 0.34
ARHGDIA P52565 1/20 0.34
ROCK1 Q13464 1/20 0.34
CTSL P07711 1/20 0.33
OPRD1 P41143 1/20 0.33
TACR1 P25103 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL7221508 0.88 OPRL1 (0.43) OPRL1ALDH1A1HSD17B10KCNH2OPRK1
SCHEMBL7685312 0.83 OPRL1 (0.39) OPRL1ALDH1A1HSD17B10KCNH2OPRK1
SCHEMBL7697916 0.83 OPRL1 (0.40) OPRL1ALDH1A1KCNH2TACR1SLC6A4
SCHEMBL7222128 0.83 ALDH1A1 (0.53) OPRL1ALDH1A1HSD17B10KCNH2OPRK1
SCHEMBL7696516 0.82 OPRK1 (0.43) OPRL1ALDH1A1HSD17B10KCNH2OPRK1
SCHEMBL3157716 0.82 OPRL1 (0.55) OPRL1ALDH1A1HSD17B10OPRM1CHRM2
SCHEMBL16554606 0.81 OPRL1 (0.32) OPRL1
SCHEMBL16565769 0.81 OPRL1 (0.32) OPRL1
SCHEMBL16565906 0.81 OPRL1 (0.31) OPRL1
SCHEMBL16554204 0.81 OPRL1 (0.31) OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002057262-A2 BICYCLIC AMINES AS INSECTICIDES SYNGENTA LIMITED (GB) 2002-07-25 WO disclosed