SCHEMBL22276155

SCHEMBL22276155

O=C(NC1(C23CC2(C(=O)O)C3)CC1)c1cccc2ccn(Cc3ccc(C4CC4)cn3)c12

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.38
PTGDR Q13258 3/20 0.38
TBXA2R P21731 1/20 0.38
PTGER1 P34995 1/20 0.38
PTGFR P43088 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38
GUCY1A1 Q02108 1/20 0.31
GUCY1B1 Q02153 1/20 0.31
PDE2A O00408 1/20 0.30
PDE10A Q9Y233 1/20 0.30

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
SCHEMBL22276178 0.89 PTGER4 (0.38) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL22276338 0.87 PTGER4 (0.39) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL22276343 0.85 PTGER4 (0.39) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL22276176 0.85 TBXA2R (0.37) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL22276339 0.84 PTGER4 (0.37) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL22276174 0.83 TBXA2R (0.34) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL23890399 0.83 PTGER3 (0.36) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL22276144 0.83 FLT1 (0.38) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL22276146 0.83 TBXA2R (0.36) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL22276230 0.83 TBXA2R (0.36) PTGER4PTGDRTBXA2RPTGER1PTGFR

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
EP-3889134-A1 COMPOUND FOR INHIBITING PGE2/EP4 SIGNALING TRANSDUCTION INHIBITING, PREPARATION METHOD THEREFOR, AND MEDICAL USES THEREOF Keythera (Suzhou) Pharmaceuticals Co. Ltd. (CN) 2021-10-06 EP disclosed
WO-2020151566-A1 COMPOUND FOR INHIBITING PGE2/EP4 SIGNALING TRANSDUCTION INHIBITING, PREPARATION METHOD THEREFOR, AND MEDICAL USES THEREOF 凯复制药有限公司 2020-07-30 WO disclosed