SCHEMBL9855086

SCHEMBL9855086

CCCCCCc1ccc(C#Cc2ccc(OC)cc2)nn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.40
APP P05067 2/20 0.40
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
MAPT P10636 1/20 0.38
ACACB O00763 1/20 0.38
HRH2 P25021 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
CYP19A1 P11511 4/20 0.38
KCNH2 Q12809 2/20 0.36
PTGES O14684 2/20 0.36
TRPV3 Q8NET8 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
SCHEMBL9855328 1.00 MCHR1 (0.40) MCHR1APPCCNB2CDK1CCNB1
SCHEMBL9855487 1.00 MCHR1 (0.40) MCHR1APPCCNB2CDK1CCNB1
SCHEMBL9855225 0.99 MCHR1 (0.41) MCHR1APPCCNB2CDK1CCNB1
SCHEMBL9855700 0.95 HRH2 (0.42) MCHR1APPCCNB2CDK1CCNB1
SCHEMBL9854873 0.91 ACACB (0.43) MCHR1ACACBKCNH2
SCHEMBL10511071 0.91 ACACB (0.43) MCHR1ACACBKCNH2
SCHEMBL9855160 0.91 ACACB (0.43) MCHR1ACACBKCNH2
SCHEMBL9855235 0.91 ACACB (0.43) MCHR1ACACBKCNH2
SCHEMBL9855927 0.90 ACACB (0.42) MAPTACACBCYP19A1KCNH2
SCHEMBL9855319 0.90 ACACB (0.42) MAPTACACBCYP19A1KCNH2

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