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SCHEMBL2373397

SCHEMBL2373397

CNS(=O)(=O)c1ccc2nc(-c3cccc(C(F)(F)F)c3)c(CN3CCC(N4CCOCC4)CC3)c(C(=O)N[C@H](c3ccccc3)C(F)(F)F)c2c1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 19/20 0.70
▸ NR1I2 O75469 1/20 0.64
▸ TACR2 P21452 2/20 0.61
▸ TACR3 P29371 2/20 0.61
▸ KCNH2 Q12809 1/20 0.61
▸ CACNA1C Q13936 1/20 0.61
▸ SCN5A Q14524 1/20 0.61

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
SCHEMBL19856985 0.94 TRPV4 (0.72) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL6900818 0.94 TRPV4 (0.72) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL19857005 0.93 TRPV4 (0.71) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL6897352 0.93 TRPV4 (0.71) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL2373446 0.93 TRPV4 (0.81) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL14480326 0.93 TRPV4 (0.72) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL14480363 0.93 TRPV4 (0.72) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL6900271 0.93 TRPV4 (0.72) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL2374761 0.92 TRPV4 (0.70) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL14553178 0.90 TRPV4 (0.73) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011119693-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 — — WO claimed
WO-2011119693-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 — — WO disclosed