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SCHEMBL6845470

SCHEMBL6845470

Cc1cc2c(C(=O)NC3(c4ccccc4)CC3)c(CN3CCC(N)CC3)c(-c3cccc(C(F)(F)F)c3)nc2cc1OC(C)C

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 19/20 0.63
▸ TACR2 P21452 2/20 0.49
▸ TACR3 P29371 2/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ CACNA1C Q13936 1/20 0.49
▸ SCN5A Q14524 1/20 0.49
▸ OPRM1 P35372 1/20 0.46
▸ NR1I2 O75469 1/20 0.46

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
SCHEMBL6845469 0.94 TRPV4 (0.63) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL6845611 0.93 TRPV4 (0.62) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL6845703 0.91 TRPV4 (0.77) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL6845577 0.91 TRPV4 (0.63) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL6845613 0.90 TRPV4 (0.73) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL30284158 0.90 TRPV4 (0.67) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL2372593 0.90 TRPV4 (0.67) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL6845472 0.85 TRPV4 (0.77) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL25200607 0.85 TRPV4 (0.78) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL6845642 0.85 TRPV4 (0.78) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011119704-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 — — WO disclosed