SCHEMBL2371586

SCHEMBL2371586

O=C(NC1(c2ccccc2)CC1)c1c(CN2CCC(N3CCOCC3)CC2)c(-c2cccc(C(F)(F)F)c2)nc2cc(Br)ccc12

nearest known ligand 0.88

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 19/20 0.88
TACR2 P21452 2/20 0.55
TACR3 P29371 2/20 0.55
KCNH2 Q12809 1/20 0.55
CACNA1C Q13936 1/20 0.55
SCN5A Q14524 1/20 0.55
NR1I2 O75469 1/20 0.52

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
SCHEMBL2404540 0.93 TRPV4 (1.00) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL30284325 0.93 TRPV4 (0.87) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL2373626 0.93 TRPV4 (0.87) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL2373125 0.91 TRPV4 (0.79) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL6870470 0.91 TRPV4 (0.73) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL2372233 0.91 TRPV4 (0.74) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL2372662 0.91 TRPV4 (0.78) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL2373311 0.90 TRPV4 (0.72) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL30284169 0.90 TRPV4 (0.72) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL2373126 0.90 TRPV4 (0.74) 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-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