SCHEMBL7734787

SCHEMBL7734787

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

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 6/20 0.35
MAOB P27338 2/20 0.33
AOC3 Q16853 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
AR P10275 1/20 0.32
KDM1A O60341 2/20 0.32
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
CHRNA7 P36544 1/20 0.31
RORC P51449 1/20 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
SCHEMBL7734790 1.00 TRPV4 (0.35) TRPV4MAOBAOC3CYP11B1CYP11B2
SCHEMBL7729698 0.94 TRPV4 (0.35) TRPV4MAOBAOC3CYP11B1CYP11B2
SCHEMBL7729700 0.94 TRPV4 (0.35) TRPV4MAOBAOC3CYP11B1CYP11B2
SCHEMBL7731471 0.92 TRPV4 (0.34) TRPV4MAOBAOC3CYP11B1CYP11B2
SCHEMBL7731480 0.92 TRPV4 (0.34) TRPV4MAOBAOC3CYP11B1CYP11B2
SCHEMBL7722535 0.91 TRPV4 (0.33) TRPV4MAOBAOC3CYP11B1CYP11B2
SCHEMBL7722538 0.91 TRPV4 (0.33) TRPV4MAOBAOC3CYP11B1CYP11B2
SCHEMBL7730431 0.87 MAOB (0.34) TRPV4MAOBAOC3
SCHEMBL7730425 0.87 MAOB (0.34) TRPV4MAOBAOC3
SCHEMBL7915593 0.87 MAOB (0.34) MAOBFFAR4

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