SCHEMBL6869235

SCHEMBL6869235

C[C@H](NC(=O)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2ccc(F)c(C(F)(F)F)c2)nc2cccnc12)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 18/20 0.67
TACR2 P21452 4/20 0.67
TACR3 P29371 4/20 0.67
KCNH2 Q12809 1/20 0.67
CACNA1C Q13936 1/20 0.67
SCN5A Q14524 1/20 0.67
OPRM1 P35372 1/20 0.53

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
SCHEMBL6870090 0.89 TRPV4 (0.67) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL6869812 0.89 TRPV4 (0.83) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL6869893 0.85 TRPV4 (0.67) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL6870095 0.83 TRPV4 (0.65) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL6869897 0.83 TRPV4 (0.84) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL6869102 0.81 TRPV4 (0.83) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL6869638 0.80 TRPV4 (0.79) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL6871794 0.80 TRPV4 (0.78) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL6870103 0.80 TRPV4 (0.80) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL2373977 0.78 TRPV4 (0.88) 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-2011119694-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed