SCHEMBL7696516

SCHEMBL7696516

CCOc1cncc(C2(C#N)CC3CCC(C2)N3Cc2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 6/20 0.43
KCNH2 Q12809 6/20 0.43
OPRL1 P41146 1/20 0.39
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RET P07949 5/20 0.36
OPRM1 P35372 4/20 0.35
CHRNB1 P11230 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNB3 Q05901 1/20 0.35
JAK2 O60674 1/20 0.35

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 0.83 OPRL1 (0.43) OPRK1KCNH2OPRL1ALDH1A1HSD17B10
SCHEMBL7221029 0.83 CHRNB2 (0.36) OPRL1CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL7700183 0.82 CHRNB2 (0.33) OPRL1CHRNB2CHRNB4CHRNA3JAK2
SCHEMBL7700751 0.82 OPRL1 (0.40) OPRK1KCNH2OPRL1ALDH1A1HSD17B10
SCHEMBL7699063 0.79 CHRNB2 (0.34) OPRL1CHRNB2CHRNB4CHRNA3
SCHEMBL7685312 0.79 OPRL1 (0.39) OPRK1KCNH2OPRL1ALDH1A1HSD17B10
SCHEMBL7222128 0.79 ALDH1A1 (0.53) OPRK1KCNH2OPRL1ALDH1A1HSD17B10
SCHEMBL5476783 0.78 KMT2A (0.51) OPRK1KCNH2OPRL1ALDH1A1OPRM1
SCHEMBL3157716 0.78 OPRL1 (0.55) OPRL1ALDH1A1HSD17B10OPRM1
SCHEMBL7697700 0.78 GRM5 (0.41) RETCHRNB2JAK2

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-2002057263-A1 8-AZABICYCLO \"3.2.1.! OCTANES AS INSECTICIDES SYNGENTA LIMITED (GB) 2002-07-25 WO disclosed