SCHEMBL2372279

SCHEMBL2372279

O=C(O)c1c(CBr)c(-c2cccc(C(F)(F)F)c2)nc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.50
TRPV4 Q9HBA0 12/20 0.48
PDE10A Q9Y233 2/20 0.47
LMNA P02545 2/20 0.47
TACR1 P25103 1/20 0.46
TSHR P16473 1/20 0.46
TACR2 P21452 1/20 0.46
TACR3 P29371 1/20 0.46
KCNH2 Q12809 1/20 0.46
CACNA1C Q13936 1/20 0.46
SCN5A Q14524 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL2372559 0.88 TRPV4 (0.50) DHODHTRPV4TACR1TACR2TACR3
SCHEMBL2372767 0.88 DHODH (0.56) DHODH
SCHEMBL5908769 0.87 DHODH (0.57) DHODHPDE10ALMNATACR1TSHR
SCHEMBL5945355 0.87 LMNA (0.54) DHODHPDE10ALMNATSHRPOLB
SCHEMBL2373864 0.87 DHODH (0.54) DHODHLMNA
SCHEMBL5908732 0.86 DHODH (0.67) DHODH
SCHEMBL1581252 0.84 DHODH (0.65) DHODHPDE10ALMNATSHRTACR2
SCHEMBL2372855 0.83 DHODH (0.71) DHODHPDE10ATSHR
SCHEMBL2461670 0.81 DHODH (0.57) DHODHPDE10ALMNATSHRTACR2
SCHEMBL2373306 0.79 DHODH (0.51) DHODHTRPV4

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