Sugi Predict

Sugi Predict / Compounds / SCHEMBL2373633

SCHEMBL2373633

SCHEMBL2373633

CCS(=O)(=O)Nc1ccc2nc(-c3cccc(C(F)(F)F)c3)c(CN3CCC(N4CCCCC4)CC3)c(C(=O)N[C@H](c3ccccc3)C(F)(F)F)c2c1

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 19/20 0.79
▸ NR1I2 O75469 1/20 0.73
▸ TACR2 P21452 2/20 0.69
▸ TACR3 P29371 2/20 0.69
▸ KCNH2 Q12809 1/20 0.69
▸ CACNA1C Q13936 1/20 0.69
▸ SCN5A Q14524 1/20 0.69
▸ OPRM1 P35372 1/20 0.55

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
SCHEMBL6889174 1.00 TRPV4 (0.79) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL2386865 0.94 TRPV4 (0.80) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL2373040 0.94 TRPV4 (0.70) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL6890892 0.93 TRPV4 (0.77) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL2372538 0.93 TRPV4 (0.79) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL6897511 0.90 TRPV4 (0.81) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL2373565 0.90 TRPV4 (0.67) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL6898878 0.89 TRPV4 (0.80) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL14480236 0.89 TRPV4 (0.80) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL14480275 0.89 TRPV4 (0.82) 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