SCHEMBL1010897

SCHEMBL1010897

CC(C(=O)O)c1c(N(C)C)nc(Cc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)nc1N(C)C

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.72
TBXA2R P21731 1/20 0.72
PTGDR Q13258 1/20 0.72
CTNNB1 P35222 4/20 0.46
TCF7L2 Q9NQB0 4/20 0.46
HIF1A Q16665 3/20 0.46
EPAS1 Q99814 3/20 0.46
TRPV1 Q8NER1 2/20 0.46
TRPV4 Q9HBA0 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
PTGS1 P23219 2/20 0.43
MTOR P42345 1/20 0.43
RORC P51449 1/20 0.42
MCHR1 Q99705 1/20 0.42

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
SCHEMBL1922582 1.00 PTGDR2 (0.72) PTGDR2TBXA2RPTGDRCTNNB1TCF7L2
Bi-671800 SCHEMBL2788886 0.84 PTGDR2 (1.00) PTGDR2TBXA2RPTGDRCTNNB1TCF7L2
Bi-671800 SCHEMBL12415807 0.84 PTGDR2 (1.00) PTGDR2TBXA2RPTGDRCTNNB1TCF7L2
Bi-671800 SCHEMBL12415799 0.84 PTGDR2 (1.00) PTGDR2TBXA2RPTGDRCTNNB1TCF7L2
Bi-671800 SCHEMBL525024 0.84 PTGDR2 (1.00) PTGDR2TBXA2RPTGDRCTNNB1TCF7L2
Bi-671800 SCHEMBL12415720 0.84 PTGDR2 (1.00) PTGDR2TBXA2RPTGDRCTNNB1TCF7L2
SCHEMBL12556772 0.83 PTGDR2 (0.80) PTGDR2TBXA2RPTGDRCTNNB1TCF7L2
SCHEMBL1011000 0.82 PTGDR2 (0.84) PTGDR2TBXA2RPTGDRCTNNB1TCF7L2
SCHEMBL525025 0.81 TBXA2R (0.71) PTGDR2TBXA2RPTGDRCTNNB1TCF7L2
SCHEMBL12556770 0.81 PTGDR2 (0.89) PTGDR2TBXA2RPTGDRCTNNB1TCF7L2

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
US-7960393-B2 Pyrimidine derivatives useful for the treatment of diseases mediated by CRTH2 ACTIMIS PHARMACEUTICALS, INC. (US) 2011-06-14 US disclosed
EP-1633726-B1 PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES MEDIATED BY CRTH2 ACTIMIS PHARMACEUTICALS INC (US) 2011-01-05 EP disclosed