SCHEMBL6870095

SCHEMBL6870095

O=C(N[C@H](c1ccccc1)C(F)(F)F)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2ccc(Cl)c(F)c2)nc2cccnc12

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 18/20 0.65
NR1I2 O75469 1/20 0.58
TACR2 P21452 4/20 0.54
TACR3 P29371 4/20 0.54
KCNH2 Q12809 1/20 0.54
CACNA1C Q13936 1/20 0.54
SCN5A Q14524 1/20 0.54
OPRM1 P35372 1/20 0.51

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
SCHEMBL6870090 0.91 TRPV4 (0.67) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL6869102 0.88 TRPV4 (0.83) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL6870050 0.84 TRPV4 (0.62) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL6869235 0.83 TRPV4 (0.67) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL6869945 0.82 TRPV4 (0.73) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL6869812 0.80 TRPV4 (0.83) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL14480167 0.79 TRPV4 (0.66) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL14553190 0.79 TRPV4 (0.66) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL6871187 0.79 TRPV4 (0.81) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL14553191 0.78 TRPV4 (0.65) 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