SCHEMBL2461670

SCHEMBL2461670

COc1c(-c2cccc(C(F)(F)F)c2)nc2ccccc2c1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.57
TACR3 P29371 13/20 0.52
CYP3A4 P08684 1/20 0.48
PDE10A Q9Y233 2/20 0.48
TSHR P16473 1/20 0.48
TACR2 P21452 1/20 0.47
LMNA P02545 1/20 0.46
RORB Q92753 1/20 0.45

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
SCHEMBL2372855 0.85 DHODH (0.71) DHODHPDE10ATSHR
SCHEMBL3959255 0.84 TACR3 (0.68) DHODHTACR3CYP3A4PDE10ATSHR
SCHEMBL28984340 0.83 TRPV4 (0.60) TACR3CYP3A4TACR2
SCHEMBL2373011 0.81 DHODH (0.58) DHODHTACR3PDE10ATSHR
SCHEMBL2372279 0.81 DHODH (0.50) DHODHTACR3PDE10ATSHRTACR2
SCHEMBL30389983 0.80 ADORA2A (0.43) DHODHTACR3TACR2LMNARORB
SCHEMBL5171551 0.80 TACR3 (0.70) TACR3CYP3A4
SCHEMBL5172525 0.80 TACR3 (0.60) TACR3CYP3A4
SCHEMBL4906015 0.79 TACR3 (0.79) TACR3CYP3A4
SCHEMBL2372559 0.78 TRPV4 (0.50) DHODHTACR3TACR2

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-2011119701-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed