Sugi Predict

Sugi Predict / Compounds / SCHEMBL2373151

SCHEMBL2373151

SCHEMBL2373151

COCCOc1cc2nc(-c3cccc(C(F)(F)F)c3)c(C[N+]3(C4CCNCC4)CCCCC3)c(C(=O)OC)c2cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 18/20 0.40
▸ NR1I2 O75469 1/20 0.38
▸ TACR2 P21452 1/20 0.37
▸ TACR3 P29371 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ CACNA1C Q13936 1/20 0.37
▸ SCN5A Q14524 1/20 0.37
▸ CASP6 P55212 1/20 0.35
▸ MALT1 Q9UDY8 1/20 0.35

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
SCHEMBL2371704 0.93 TRPV4 (0.43) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL2373460 0.93 TRPV4 (0.42) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL2373547 0.91 TRPV4 (0.41) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL2373123 0.89 TRPV4 (0.41) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL2373462 0.87 TRPV4 (0.41) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL2372627 0.87 TRPV4 (0.43) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL2373459 0.87 TRPV4 (0.44) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL2373030 0.86 TRPV4 (0.41) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL2373237 0.85 TRPV4 (0.49) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL2372735 0.85 TRPV4 (0.43) 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 disclosed
WO-2011119704-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 — — WO disclosed