SCHEMBL6869102

SCHEMBL6869102

O=C(N[C@H](c1ccccc1)C(F)(F)F)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2cccc(C(F)(F)F)c2)nc2cccnc12

nearest known ligand 0.83

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 20/20 0.83
NR1I2 O75469 1/20 0.73
TACR2 P21452 2/20 0.70
TACR3 P29371 2/20 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
SCHEMBL6869945 0.93 TRPV4 (0.73) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL6869812 0.92 TRPV4 (0.83) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL6871187 0.91 TRPV4 (0.81) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL6869230 0.88 TRPV4 (0.78) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL6868924 0.88 TRPV4 (0.77) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL6870095 0.88 TRPV4 (0.65) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL2374069 0.88 TRPV4 (0.88) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL2423893 0.87 TRPV4 (0.67) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL6890667 0.87 TRPV4 (1.00) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL6890084 0.86 TRPV4 (0.81) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011119694-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed