Sugi Predict

Sugi Predict / Compounds / SCHEMBL2386471

SCHEMBL2386471

SCHEMBL2386471

O=C(N[C@H](c1ccccc1)C(F)(F)F)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2cccc(C(F)(F)F)c2)nc2ccc(C(=O)N3CCCC3)cc12

nearest known ligand 0.83

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 20/20 0.83
▸ NR1I2 O75469 1/20 0.72
▸ TACR2 P21452 1/20 0.70
▸ TACR3 P29371 1/20 0.70
▸ KCNH2 Q12809 1/20 0.70
▸ CACNA1C Q13936 1/20 0.70
▸ SCN5A Q14524 1/20 0.70

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
SCHEMBL6891216 1.00 TRPV4 (0.83) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL2373234 0.96 TRPV4 (0.78) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL6890512 0.96 TRPV4 (0.78) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL2374069 0.91 TRPV4 (0.88) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL6890065 0.91 TRPV4 (0.81) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL6890667 0.91 TRPV4 (1.00) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL6891221 0.88 TRPV4 (0.83) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL6898942 0.88 TRPV4 (0.82) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL14480275 0.88 TRPV4 (0.82) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL19857009 0.88 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