SCHEMBL2373361

SCHEMBL2373361

COC(=O)c1c(C[N+]2(C3CCNCC3)CCCCC2)c(-c2cccc(C(F)(F)F)c2)nc2c(F)c(Br)ccc12

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 18/20 0.38
NR1I2 O75469 1/20 0.36
CASP6 P55212 1/20 0.36
TACR2 P21452 1/20 0.35
TACR3 P29371 1/20 0.35
KCNH2 Q12809 1/20 0.35
CACNA1C Q13936 1/20 0.35
SCN5A Q14524 1/20 0.35
MAPK13 O15264 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34

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
SCHEMBL2372935 0.92 TRPV4 (0.40) TRPV4NR1I2CASP6TACR2TACR3
SCHEMBL2373052 0.88 TRPV4 (0.38) TRPV4NR1I2CASP6TACR2TACR3
SCHEMBL2373297 0.88 TRPV4 (0.39) TRPV4NR1I2CASP6TACR2TACR3
SCHEMBL2372456 0.87 TRPV4 (0.48) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL2372782 0.86 TRPV4 (0.47) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL2373237 0.85 TRPV4 (0.49) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL2372101 0.85 TRPV4 (0.52) TRPV4NR1I2CASP6TACR2TACR3
SCHEMBL2419379 0.84 TRPV4 (0.39) TRPV4NR1I2CASP6TACR2TACR3
SCHEMBL2373587 0.84 TRPV4 (0.53) TRPV4NR1I2CASP6TACR2TACR3
SCHEMBL2373459 0.84 TRPV4 (0.44) TRPV4NR1I2CASP6TACR2TACR3

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-2011119704-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed