SCHEMBL9713673

SCHEMBL9713673

CCCc1cnc(C#Cc2ccc(OC(F)(F)C(F)F)cc2)nc1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.38
ACACB O00763 15/20 0.36
CETP P11597 2/20 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
SCHEMBL9713143 0.93 MCHR1 (0.37) MCHR1ACACBCETP
SCHEMBL9713931 0.92 MAPT (0.40) MCHR1ACACBCETP
SCHEMBL9713150 0.91 L3MBTL1 (0.39) MCHR1ACACBCETP
SCHEMBL9712902 0.91 L3MBTL1 (0.39) MCHR1ACACBCETP
SCHEMBL9713550 0.91 L3MBTL1 (0.39) MCHR1ACACBCETP
SCHEMBL9713362 0.90 ACACB (0.39) MCHR1ACACBCETP
SCHEMBL9712996 0.88 ACACB (0.43) MCHR1ACACB
SCHEMBL9713435 0.85 ACACB (0.49) MCHR1ACACBCETP
SCHEMBL9713632 0.83 MCHR1 (0.36) MCHR1ACACB
SCHEMBL9713053 0.81 ACACB (0.41) MCHR1ACACB

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-5164114-A LIQUID CRYSTAL MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1992-11-17 US disclosed