SCHEMBL7722535

SCHEMBL7722535

CCCCC[C@H]1CC[C@H](CCc2ccc(C(F)(F)Oc3ccc(C#N)c(F)c3)cc2)CC1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 5/20 0.33
AR P10275 5/20 0.33
AOC3 Q16853 1/20 0.32
MAOB P27338 3/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
MAOA P21397 1/20 0.31
KDM1A O60341 2/20 0.30
FFAR1 O14842 1/20 0.30
FFAR4 Q5NUL3 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
SCHEMBL7722538 1.00 TRPV4 (0.33) TRPV4ARAOC3MAOBCYP11B1
SCHEMBL7731480 0.97 TRPV4 (0.34) TRPV4ARAOC3MAOBCYP11B1
SCHEMBL7731471 0.97 TRPV4 (0.34) TRPV4ARAOC3MAOBCYP11B1
SCHEMBL7729700 0.93 TRPV4 (0.35) TRPV4ARAOC3MAOBCYP11B1
SCHEMBL7729698 0.93 TRPV4 (0.35) TRPV4ARAOC3MAOBCYP11B1
SCHEMBL7734790 0.91 TRPV4 (0.35) TRPV4ARAOC3MAOBCYP11B1
SCHEMBL7734787 0.91 TRPV4 (0.35) TRPV4ARAOC3MAOBCYP11B1
SCHEMBL7722579 0.88 TRPC3 (0.35) TRPV4ARAOC3CYP11B1CYP11B2
SCHEMBL7722576 0.88 TRPC3 (0.35) TRPV4ARAOC3CYP11B1CYP11B2
SCHEMBL7731531 0.88 MAOB (0.33) MAOBMAOA

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 2 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
EP-0786445-A1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1997-07-30 EP disclosed