SCHEMBL2372800

SCHEMBL2372800

CCOc1cc2nc(-c3cccc(C(F)(F)F)c3)c(CN3CCC(N4CCCC4)CC3)c(C(=O)NC3(c4ccccc4)CC3)c2cc1S(=O)(=O)C(C)C

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 19/20 0.75
NR1I2 O75469 1/20 0.58
TACR2 P21452 2/20 0.57
TACR3 P29371 2/20 0.57
KCNH2 Q12809 1/20 0.57
CACNA1C Q13936 1/20 0.57
SCN5A Q14524 1/20 0.57

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
SCHEMBL6845726 0.99 TRPV4 (0.76) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL30284319 0.95 TRPV4 (0.68) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL2399242 0.95 TRPV4 (0.68) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL2399677 0.94 TRPV4 (0.76) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL30284198 0.94 TRPV4 (0.77) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL6845720 0.94 TRPV4 (0.77) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL2458527 0.93 TRPV4 (0.79) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL6845686 0.90 TRPV4 (0.75) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL25211111 0.89 TRPV4 (0.67) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL30284003 0.89 TRPV4 (0.67) 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-2011119704-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed
WO-2011119704-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed