SCHEMBL2373090

SCHEMBL2373090

CCCOc1ccc2c(C(=O)N[C@H](c3ccccc3)C(F)(F)F)c(CN3CCC(N4CCCCC4)CC3)c(-c3cccc(C(F)(F)F)c3)nc2c1

nearest known ligand 0.91

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 20/20 0.91
NR1I2 O75469 1/20 0.91
TACR2 P21452 1/20 0.70
TACR3 P29371 1/20 0.70
KCNH2 Q12809 1/20 0.70
CACNA1C Q13936 1/20 0.70
SCN5A Q14524 1/20 0.70

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
SCHEMBL2373653 0.95 TRPV4 (1.00) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL2374169 0.93 TRPV4 (0.88) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL2373093 0.92 TRPV4 (0.89) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL2373088 0.91 TRPV4 (0.92) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL2373351 0.90 TRPV4 (0.76) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL2373073 0.88 TRPV4 (0.70) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL2373376 0.88 TRPV4 (0.70) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL14480405 0.88 TRPV4 (0.82) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL2373688 0.88 TRPV4 (0.82) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL14553177 0.87 TRPV4 (0.83) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

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