SCHEMBL2373709

SCHEMBL2373709

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 10/20 0.39
CTSA P10619 2/20 0.39
DHODH Q02127 2/20 0.39
PTGFR P43088 4/20 0.38
TACR2 P21452 1/20 0.38
TACR3 P29371 1/20 0.38
KCNH2 Q12809 1/20 0.38
CACNA1C Q13936 1/20 0.38
SCN5A Q14524 1/20 0.38
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL2373064 0.91 PTGFR (0.40) TRPV4PTGFRTACR2TACR3KCNH2
SCHEMBL2372311 0.89 TRPV4 (0.40) TRPV4CTSADHODHPTGFRTACR2
SCHEMBL2373084 0.89 DHODH (0.49) CTSADHODHPTGFRCYP1A2CYP2C19
SCHEMBL2465453 0.88 TRPV4 (0.38) TRPV4PTGFRTACR2TACR3KCNH2
SCHEMBL2373306 0.83 DHODH (0.51) TRPV4DHODHPTGFRCYP1A2CYP2C19
SCHEMBL2372142 0.83 CTSA (0.44) TRPV4CTSAPTGFRMEN1ALDH1A1
SCHEMBL2372484 0.82 CTSA (0.38) TRPV4CTSAPTGFRTACR2TACR3
SCHEMBL2372559 0.81 TRPV4 (0.50) TRPV4DHODHPTGFRTACR2TACR3
SCHEMBL2373699 0.81 CTSA (0.44) TRPV4CTSAPTGFRMEN1ALDH1A1
SCHEMBL2372846 0.81 CTSA (0.41) TRPV4CTSAPTGFRCYP1A2CYP2C19

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