SCHEMBL9630101

SCHEMBL9630101

CCCC1CCC(CCc2cc(F)c(C#N)c(F)c2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 1/20 0.37
▸ MAOB P27338 5/20 0.34
▸ MAOA P21397 3/20 0.34
▸ CHRM2 P08172 2/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.32
▸ CHRM5 P08912 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ AR P10275 1/20 0.31
▸ FASN P49327 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ FYN P06241 1/20 0.30
▸ CTSL P07711 1/20 0.30
▸ CTSB P07858 1/20 0.30
▸ CTSS P25774 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
SCHEMBL9630094 1.00 TRPV4 (0.37) TRPV4MAOBMAOACHRM2CHRM1
SCHEMBL9061356 0.96 TRPV4 (0.34) TRPV4MAOBMAOACHRM2CHRM1
SCHEMBL9061364 0.96 TRPV4 (0.34) TRPV4MAOBMAOACHRM2CHRM1
SCHEMBL9061373 0.96 TRPV4 (0.34) TRPV4MAOBMAOACHRM2CHRM1
SCHEMBL15043539 0.88 TRPV4 (0.37) TRPV4MAOBMAOACHRM2CHRM1
SCHEMBL9630124 0.88 CYP1A2 (0.33) TRPV4MAOBMAOACHRM2CHRM1
SCHEMBL9630120 0.88 CYP1A2 (0.33) TRPV4MAOBMAOACHRM2CHRM1
SCHEMBL9631076 0.87 TRPV4 (0.34) TRPV4MAOBMAOACHRM2CHRM1
SCHEMBL9631070 0.87 TRPV4 (0.34) TRPV4MAOBMAOACHRM2CHRM1
SCHEMBL9630105 0.86 TRPV4 (0.32) TRPV4MAOBMAOACHRM2CHRM1

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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