SCHEMBL15043539

SCHEMBL15043539

CC1CCC(CCc2cc(F)c(C#N)c(F)c2)CC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 1/20 0.37
▸ CHRM2 P08172 2/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ CHRM5 P08912 1/20 0.34
▸ MAOB P27338 4/20 0.33
▸ MAOA P21397 2/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.32
▸ HTR2A P28223 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ CTSL P07711 1/20 0.30
▸ CTSB P07858 1/20 0.30
▸ CTSS P25774 1/20 0.30
▸ CTSK P43235 1/20 0.30
▸ CTSC P53634 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
SCHEMBL9630169 0.96 TRPV4 (0.34) TRPV4CHRM2CHRM1CHRM5MAOB
SCHEMBL9630172 0.96 TRPV4 (0.34) TRPV4CHRM2CHRM1CHRM5MAOB
SCHEMBL9630094 0.88 TRPV4 (0.37) TRPV4CHRM2CHRM1CHRM5MAOB
SCHEMBL9630101 0.88 TRPV4 (0.37) TRPV4CHRM2CHRM1CHRM5MAOB
SCHEMBL9347180 0.86 HRH3 (0.40) TRPV4CHRM2CHRM1CHRM5MAOB
SCHEMBL9347174 0.86 HRH3 (0.40) TRPV4CHRM2CHRM1CHRM5MAOB
SCHEMBL18722116 0.84 DAO (0.39) TRPV4MAOBMAOAHRH3CTSS
SCHEMBL9061373 0.84 TRPV4 (0.34) TRPV4CHRM2CHRM1CHRM5MAOB
SCHEMBL9061364 0.84 TRPV4 (0.34) TRPV4CHRM2CHRM1CHRM5MAOB
SCHEMBL9631070 0.84 TRPV4 (0.34) TRPV4CHRM2CHRM1CHRM5MAOB

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
US-9617473-B2 Switch element comprising a liquid-crystalline medium MERCK PATENT GMBH (DE) 2017-04-11 — — US disclosed
US-9617473-B2 Switch element comprising a liquid-crystalline medium MERCK PATENT GMBH (DE) 2017-04-11 — — US disclosed
US-20130155338-A1 SWITCH ELEMENT COMPRISING A LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-06-20 — — US disclosed
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