SCHEMBL6845467

SCHEMBL6845467

Bc1cccc(-c2nc3ccc(S(C)(=O)=O)cc3c(C(=O)NC3(c4ccccc4)CC3)c2CN2CCC(N3CCCCC3)CC2)c1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 18/20 0.67
TACR2 P21452 4/20 0.50
TACR3 P29371 4/20 0.50
KCNH2 Q12809 1/20 0.50
CACNA1C Q13936 1/20 0.50
SCN5A Q14524 1/20 0.50
OPRM1 P35372 1/20 0.49

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
SCHEMBL6845525 0.99 TRPV4 (0.66) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL6845664 0.93 TRPV4 (0.59) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL25220213 0.92 TRPV4 (0.69) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL6845621 0.92 TRPV4 (0.81) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL30283987 0.91 TRPV4 (0.67) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL25192865 0.91 TRPV4 (0.67) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL2372733 0.91 TRPV4 (0.80) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL30284320 0.91 TRPV4 (0.80) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL6845594 0.89 TRPV4 (0.62) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL2373423 0.89 TRPV4 (0.61) 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