SCHEMBL2373076

SCHEMBL2373076

COCCOc1ccc2nc(-c3cccc(C(F)(F)F)c3)c(CN3CCC(N4CCOCC4)CC3)c(C(=O)O)c2c1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 19/20 0.62
NR1I2 O75469 1/20 0.55
TACR2 P21452 2/20 0.53
TACR3 P29371 2/20 0.53
KCNH2 Q12809 1/20 0.53
CACNA1C Q13936 1/20 0.53
SCN5A Q14524 1/20 0.53

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
SCHEMBL2373193 0.94 TRPV4 (0.61) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL2373538 0.92 TRPV4 (0.63) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL2372441 0.89 TRPV4 (0.72) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL2373221 0.88 TRPV4 (0.68) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL2373386 0.88 TRPV4 (0.63) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL2373167 0.86 TRPV4 (0.65) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL2372912 0.85 TRPV4 (0.66) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL2373275 0.85 TRPV4 (0.69) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL2372024 0.85 TRPV4 (0.65) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL2373668 0.85 TRPV4 (0.77) TRPV4NR1I2TACR2TACR3KCNH2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011119704-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed