SCHEMBL6870050

SCHEMBL6870050

O=C(NC1(c2ccccc2)CC1)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2ccc(Cl)c(F)c2)nc2cccnc12

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 17/20 0.62
TACR2 P21452 5/20 0.45
TACR3 P29371 5/20 0.45
OPRM1 P35372 2/20 0.45
KCNH2 Q12809 1/20 0.44
CACNA1C Q13936 1/20 0.44
SCN5A Q14524 1/20 0.44

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
SCHEMBL6869893 0.89 TRPV4 (0.67) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL6870049 0.86 TRPV4 (0.83) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL6870090 0.85 TRPV4 (0.67) TRPV4TACR2TACR3OPRM1KCNH2
SCHEMBL6870095 0.84 TRPV4 (0.65) TRPV4TACR2TACR3OPRM1KCNH2
SCHEMBL6869969 0.80 TRPV4 (0.73) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL2514030 0.79 TRPV4 (0.81) TRPV4TACR2TACR3OPRM1
SCHEMBL6845575 0.78 TRPV4 (0.83) TRPV4TACR2TACR3KCNH2CACNA1C
Trifluoroacetic Acid SCHEMBL25197956 0.78 TRPV4 (0.81) TRPV4TACR2TACR3OPRM1KCNH2
SCHEMBL6845594 0.78 TRPV4 (0.62) TRPV4TACR2TACR3OPRM1KCNH2
SCHEMBL2373423 0.77 TRPV4 (0.61) TRPV4TACR2TACR3OPRM1KCNH2

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