SCHEMBL2372637

SCHEMBL2372637

COC(=O)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2cccc(C(F)(F)F)c2)nc2ccc(Br)cc12

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 20/20 0.75
TACR2 P21452 1/20 0.65
TACR3 P29371 1/20 0.65
KCNH2 Q12809 1/20 0.65
CACNA1C Q13936 1/20 0.65
SCN5A Q14524 1/20 0.65
NR1I2 O75469 1/20 0.59

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
SCHEMBL2372181 0.92 TRPV4 (0.70) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL2372091 0.92 TRPV4 (0.76) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL2373192 0.90 TRPV4 (0.71) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL14480477 0.90 TRPV4 (0.65) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL2466907 0.89 TRPV4 (0.63) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL2373339 0.88 TRPV4 (0.65) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL6868096 0.88 TRPV4 (0.62) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL2372179 0.88 TRPV4 (0.62) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL2373179 0.88 TRPV4 (0.62) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL2372823 0.88 TRPV4 (0.77) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

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