SCHEMBL2373079

SCHEMBL2373079

COC(=O)c1c(CN2CCC(N3CCOCC3)CC2)c(-c2cccc(C(F)(F)F)c2)nc2ccc(Cl)cc12

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 20/20 0.66
TACR2 P21452 1/20 0.56
TACR3 P29371 1/20 0.56
KCNH2 Q12809 1/20 0.56
CACNA1C Q13936 1/20 0.56
SCN5A Q14524 1/20 0.56
NR1I2 O75469 1/20 0.51

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
SCHEMBL2373275 0.94 TRPV4 (0.69) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL2372024 0.93 TRPV4 (0.65) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL2373744 0.91 TRPV4 (0.66) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL2373252 0.91 TRPV4 (0.78) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL2373386 0.89 TRPV4 (0.63) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL2464025 0.89 TRPV4 (0.63) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL2371605 0.89 TRPV4 (0.61) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL2373897 0.89 TRPV4 (0.62) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL2372690 0.88 TRPV4 (0.51) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL2373632 0.88 TRPV4 (0.64) TRPV4TACR2TACR3KCNH2CACNA1C

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