SCHEMBL2373052

SCHEMBL2373052

COC(=O)c1c(C[N+]2(C3CCNCC3)CCCCC2)c(-c2cccc(C(F)(F)F)c2)nc2c(Br)cc(Cl)cc12

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 17/20 0.38
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
TACR2 P21452 1/20 0.36
TACR3 P29371 1/20 0.36
KCNH2 Q12809 1/20 0.36
CACNA1C Q13936 1/20 0.36
SCN5A Q14524 1/20 0.36
CASP6 P55212 1/20 0.35
NR1I2 O75469 1/20 0.34
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) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL2373361 0.88 TRPV4 (0.38) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL2373459 0.88 TRPV4 (0.44) TRPV4LMNATP53MAPTTACR2
SCHEMBL2372782 0.86 TRPV4 (0.47) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL2373297 0.86 TRPV4 (0.39) TRPV4TP53MAPTTACR2TACR3
SCHEMBL2372456 0.85 TRPV4 (0.48) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL2373237 0.85 TRPV4 (0.49) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL2373123 0.84 TRPV4 (0.41) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL2373460 0.84 TRPV4 (0.42) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL2373547 0.83 TRPV4 (0.41) TRPV4TACR2TACR3KCNH2CACNA1C

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