SCHEMBL27410165

SCHEMBL27410165

CCc1ccc(-c2cc(F)c(-c3ccc(C4CC4)s3)c(F)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 7/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.32
▸ CHKA P35790 1/20 0.32
▸ HRH3 Q9Y5N1 2/20 0.32
▸ CYP2D6 P10635 3/20 0.31
▸ CHRM2 P08172 1/20 0.31
▸ CHRM4 P08173 1/20 0.31
▸ CHRM5 P08912 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ CHRM3 P20309 1/20 0.31
▸ F10 P00742 1/20 0.31
▸ S1PR1 P21453 1/20 0.30
▸ S1PR5 Q9H228 1/20 0.30

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
SCHEMBL27410167 0.95 MCHR1 (0.35) MCHR1FFAR4CHKAHRH3CYP2D6
SCHEMBL27410168 0.95 MCHR1 (0.35) MCHR1FFAR4CHKAHRH3CYP2D6
SCHEMBL24300680 0.90 FFAR4 (0.35) FFAR4CHKAHRH3
SCHEMBL24300932 0.85 FFAR4 (0.38) MCHR1FFAR4CHKACHRM2CHRM4
SCHEMBL24300675 0.85 FFAR4 (0.37) FFAR4CHKAHRH3
SCHEMBL24300885 0.85 FFAR4 (0.35) FFAR4CHKAHRH3
SCHEMBL24300678 0.85 FFAR4 (0.35) FFAR4CHKAHRH3
SCHEMBL24300857 0.85 CHRM4 (0.32) CHRM4
SCHEMBL24300941 0.81 FFAR4 (0.38) MCHR1FFAR4CHKACYP2D6CHRM2
SCHEMBL24300934 0.81 FFAR4 (0.40) MCHR1FFAR4CHKACHRM2CHRM4

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-2024126567-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2024-06-20 — — WO disclosed
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