SCHEMBL2373587

SCHEMBL2373587

CCOc1ccc2c(C(=O)OC)c(C[N+]3(C4CCNCC4)CCCCC3)c(-c3cccc(C(F)(F)F)c3)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 17/20 0.53
NR1I2 O75469 1/20 0.51
TACR3 P29371 2/20 0.39
TACR2 P21452 1/20 0.39
KCNH2 Q12809 1/20 0.39
CACNA1C Q13936 1/20 0.39
SCN5A Q14524 1/20 0.39
CASP6 P55212 1/20 0.37
MAPK13 O15264 1/20 0.37
MAPK9 P45984 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37

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
SCHEMBL2373609 0.94 TRPV4 (0.47) TRPV4NR1I2TACR3TACR2KCNH2
SCHEMBL2372101 0.94 TRPV4 (0.52) TRPV4NR1I2TACR3TACR2KCNH2
SCHEMBL2374441 0.92 TRPV4 (0.45) TRPV4NR1I2TACR3TACR2KCNH2
SCHEMBL2372627 0.90 TRPV4 (0.43) TRPV4NR1I2TACR3TACR2KCNH2
SCHEMBL2373459 0.90 TRPV4 (0.44) TRPV4NR1I2TACR3TACR2KCNH2
SCHEMBL2372456 0.90 TRPV4 (0.48) TRPV4NR1I2TACR3TACR2KCNH2
SCHEMBL2373237 0.90 TRPV4 (0.49) TRPV4NR1I2TACR3TACR2KCNH2
SCHEMBL2371704 0.90 TRPV4 (0.43) TRPV4NR1I2TACR3TACR2KCNH2
SCHEMBL2461917 0.88 TRPV4 (0.43) TRPV4NR1I2TACR3TACR2KCNH2
SCHEMBL2373082 0.88 TRPV4 (0.47) TRPV4NR1I2TACR3TACR2KCNH2

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
WO-2011119704-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed
WO-2011119693-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed