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SCHEMBL2373237

SCHEMBL2373237

COC(=O)c1c(C[N+]2(C3CCNCC3)CCCCC2)c(-c2cccc(C(F)(F)F)c2)nc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 18/20 0.49
▸ TACR3 P29371 3/20 0.47
▸ TACR2 P21452 2/20 0.47
▸ KCNH2 Q12809 2/20 0.47
▸ CACNA1C Q13936 1/20 0.47
▸ SCN5A Q14524 1/20 0.47
▸ NR1I2 O75469 1/20 0.42
▸ OPRM1 P35372 1/20 0.42

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
SCHEMBL2372735 0.93 TRPV4 (0.43) TRPV4TACR3TACR2KCNH2CACNA1C
SCHEMBL2372101 0.92 TRPV4 (0.52) TRPV4TACR3TACR2KCNH2CACNA1C
SCHEMBL2373082 0.92 TRPV4 (0.47) TRPV4TACR3TACR2KCNH2CACNA1C
SCHEMBL2372782 0.92 TRPV4 (0.47) TRPV4TACR3TACR2KCNH2CACNA1C
SCHEMBL2373459 0.91 TRPV4 (0.44) TRPV4TACR3TACR2KCNH2CACNA1C
SCHEMBL2372840 0.91 TRPV4 (0.43) TRPV4TACR3TACR2KCNH2CACNA1C
SCHEMBL2372456 0.91 TRPV4 (0.48) TRPV4TACR3TACR2KCNH2CACNA1C
SCHEMBL2372607 0.90 TRPV4 (0.41) TRPV4TACR3TACR2KCNH2CACNA1C
SCHEMBL2373587 0.90 TRPV4 (0.53) TRPV4TACR3TACR2KCNH2CACNA1C
SCHEMBL2372430 0.90 TACR3 (0.50) TRPV4TACR3TACR2KCNH2OPRM1

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