SCHEMBL7729282

SCHEMBL7729282

C=CCC[C@H]1CC[C@H](c2ccc(C(F)(F)Oc3ccc(C#N)c(F)c3)cc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 1/20 0.35
TRPC6 Q9Y210 1/20 0.35
TRPV4 Q9HBA0 6/20 0.33
FFAR4 Q5NUL3 2/20 0.32
FFAR1 O14842 1/20 0.32
AOC3 Q16853 1/20 0.31
AR P10275 2/20 0.31

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
SCHEMBL7729286 1.00 TRPC3 (0.35) TRPC3TRPC6TRPV4FFAR4FFAR1
SCHEMBL7733595 0.94 TRPC3 (0.34) TRPC3TRPC6TRPV4FFAR4AOC3
SCHEMBL7733599 0.94 TRPC3 (0.34) TRPC3TRPC6TRPV4FFAR4AOC3
SCHEMBL7730408 0.89 TRPC3 (0.34) TRPC3TRPC6TRPV4FFAR4FFAR1
SCHEMBL7730417 0.89 TRPC3 (0.34) TRPC3TRPC6TRPV4FFAR4FFAR1
SCHEMBL8470846 0.89 TRPC3 (0.34) TRPC3TRPC6TRPV4FFAR4FFAR1
SCHEMBL7730413 0.89 TRPC3 (0.34) TRPC3TRPC6TRPV4FFAR4FFAR1
SCHEMBL7730421 0.89 TRPC3 (0.34) TRPC3TRPC6TRPV4FFAR4FFAR1
SCHEMBL7730880 0.88 GRM2 (0.30)
SCHEMBL7730885 0.88 GRM2 (0.30)

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-0786445-B1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORP (JP) 2002-07-17 EP disclosed
US-5858270-A Difluorooxymethane derivative and liquid crystal composition CHISSO CORPORATION (JP) 1999-01-12 US disclosed
EP-0786445-A1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1997-07-30 EP disclosed