SCHEMBL2373064

SCHEMBL2373064

COC(=O)c1c(CBr)c(-c2cccc(C(F)(F)F)c2)nc2cc(OC(C)C)c(Br)cc12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGFR P43088 4/20 0.40
TRPV4 Q9HBA0 14/20 0.40
TACR2 P21452 1/20 0.40
TACR3 P29371 1/20 0.40
KCNH2 Q12809 1/20 0.40
CACNA1C Q13936 1/20 0.40
SCN5A Q14524 1/20 0.40
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM5B Q9UGL1 1/20 0.37

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
SCHEMBL2373709 0.91 TRPV4 (0.39) PTGFRTRPV4TACR2TACR3KCNH2
SCHEMBL2373855 0.90 DHODH (0.46) PTGFRKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL2372311 0.89 TRPV4 (0.40) PTGFRTRPV4TACR2TACR3KCNH2
SCHEMBL2465453 0.88 TRPV4 (0.38) PTGFRTRPV4TACR2TACR3KCNH2
SCHEMBL2372179 0.84 TRPV4 (0.62) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL2373306 0.83 DHODH (0.51) PTGFRTRPV4KDM4EMEN1ALDH1A1
SCHEMBL2372142 0.83 CTSA (0.44) PTGFRTRPV4MEN1ALDH1A1KMT2A
SCHEMBL2372484 0.82 CTSA (0.38) PTGFRTRPV4TACR2TACR3KCNH2
SCHEMBL2372981 0.82 DHODH (0.56) PTGFRKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL2373078 0.82 TRPV4 (0.42) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011119704-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed
WO-2011119693-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed