SCHEMBL2373547

SCHEMBL2373547

COC(=O)c1c(C[N+]2(C3CCNCC3)CCCCC2)c(-c2cccc(C(F)(F)F)c2)nc2cc(Cl)c(OC)cc12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 16/20 0.41
NR1I2 O75469 1/20 0.37
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
CTSA P10619 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
PGK1 P00558 1/20 0.36
CASP6 P55212 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
SCHEMBL2373460 0.98 TRPV4 (0.42) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL2373123 0.92 TRPV4 (0.41) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL2371704 0.92 TRPV4 (0.43) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL2372627 0.91 TRPV4 (0.43) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL2373030 0.91 TRPV4 (0.41) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL2373462 0.91 TRPV4 (0.41) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL2373151 0.91 TRPV4 (0.40) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL2373459 0.89 TRPV4 (0.44) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL2373082 0.89 TRPV4 (0.47) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL2372101 0.89 TRPV4 (0.52) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

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