SCHEMBL9855079

SCHEMBL9855079

CCCc1ccc(C#Cc2ccc(Cl)nn2)cc1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.40
ACACB O00763 7/20 0.40
MCHR1 Q99705 2/20 0.36
GRM5 P41594 1/20 0.36
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL9855167 0.91 ACACB (0.41) FFAR1ACACBMCHR1GRM5ALDH1A1
SCHEMBL9855140 0.90 ACACB (0.45) FFAR1ACACBGRM5
SCHEMBL9855441 0.90 HSD17B10 (0.43) FFAR1ACACBMCHR1ALDH1A1RAB9A
SCHEMBL9855410 0.88 HSD17B10 (0.46) FFAR1ACACBMCHR1ALDH1A1
SCHEMBL9855636 0.87 CYP2A6 (0.40) FFAR1ACACBMCHR1GRM5
SCHEMBL10517953 0.83 NPC1 (0.38) FFAR1ACACBALDH1A1RAB9A
SCHEMBL9854876 0.83 FFAR1 (0.42) FFAR1ACACBGRM5
SCHEMBL9855380 0.83 ACACB (0.40) FFAR1ACACBGRM5
SCHEMBL9855101 0.81 ACACB (0.40) FFAR1ACACBGRM5
SCHEMBL9855956 0.80 ACACB (0.45) FFAR1ACACBMCHR1GRM5ALDH1A1

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
US-5068053-A Liquid crystals for optical apparatus MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-11-26 US disclosed