SCHEMBL9631076

SCHEMBL9631076

CCC1CCC(C2CCC(CCc3cc(F)c(C#N)c(F)c3)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 1/20 0.34
▸ CHRM2 P08172 2/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ HTR2A P28223 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ MAOA P21397 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ CHRM5 P08912 1/20 0.31
▸ HRH3 Q9Y5N1 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
SCHEMBL9631070 1.00 TRPV4 (0.34) TRPV4CHRM2CHRM1HTR2AHTR2C
SCHEMBL9061373 0.92 TRPV4 (0.34) TRPV4CHRM2CHRM1HTR2AHTR2C
SCHEMBL9061356 0.92 TRPV4 (0.34) TRPV4CHRM2CHRM1HTR2AHTR2C
SCHEMBL9061364 0.92 TRPV4 (0.34) TRPV4CHRM2CHRM1HTR2AHTR2C
SCHEMBL9630124 0.89 CYP1A2 (0.33) TRPV4CHRM2CHRM1HTR2AHTR2C
SCHEMBL9630120 0.89 CYP1A2 (0.33) TRPV4CHRM2CHRM1HTR2AHTR2C
SCHEMBL9630169 0.89 TRPV4 (0.34) TRPV4CHRM2CHRM1HTR2AHTR2C
SCHEMBL9630172 0.89 TRPV4 (0.34) TRPV4CHRM2CHRM1HTR2AHTR2C
SCHEMBL9630110 0.88 TRPV4 (0.32) TRPV4CHRM2CHRM1MAOAMAOB
SCHEMBL9630105 0.88 TRPV4 (0.32) TRPV4CHRM2CHRM1MAOAMAOB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0316715-B1 CYCLOHEXANE DERIVATIVES Chisso Corporation (JP) 1992-06-03 — — EP disclosed
US-4853152-A Cyclohexane derivative CHISSO CORPORATION (JP) 1989-08-01 — — US disclosed
EP-0316715-A2 Cyclohexane derivatives Chisso Corporation (JP) 1989-05-24 — — EP disclosed
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