SCHEMBL17807333

SCHEMBL17807333

O=C(O)c1ccc(C2(NC(=O)c3cc(Cl)cc4c3N(Cc3ccc(C(F)(F)F)cc3)CC43CC3)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 20/20 0.64
PTGDR Q13258 3/20 0.64
PTGER2 P43116 2/20 0.55
TBXA2R P21731 1/20 0.55
PTGER1 P34995 1/20 0.55
PTGFR P43088 1/20 0.55
PTGER3 P43115 1/20 0.55

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
SCHEMBL17807231 0.91 PTGER4 (0.53) PTGER4PTGDRPTGER2TBXA2RPTGER1
SCHEMBL17807155 0.87 PTGER4 (0.55) PTGER4PTGDRPTGER2TBXA2RPTGER1
SCHEMBL17807153 0.85 PTGER4 (0.61) PTGER4PTGDRPTGER2TBXA2RPTGER1
SCHEMBL17807145 0.83 PTGER4 (0.46) PTGER4PTGDRPTGER2TBXA2RPTGER1
SCHEMBL17807291 0.83 PTGER4 (0.59) PTGER4PTGDRPTGER2TBXA2RPTGER1
SCHEMBL17807267 0.82 PTGER4 (0.56) PTGER4PTGDRPTGER2TBXA2RPTGER1
SCHEMBL17807382 0.79 PTGER4 (0.46) PTGER4PTGDRPTGER2TBXA2RPTGER1
SCHEMBL17807393 0.78 PTGER4 (0.50) PTGER4PTGDRPTGER2TBXA2RPTGER1
SCHEMBL17807262 0.78 PTGER4 (0.49) PTGER4PTGDRPTGER2TBXA2RPTGER1
SCHEMBL17807390 0.78 PTGER4 (0.46) PTGER4PTGDRPTGER2TBXA2RPTGER1

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-2016088903-A1 HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-09 WO disclosed