SCHEMBL31366933

SCHEMBL31366933

O=C(O)c1ccccc1C1(NC(=O)c2ccc(Nc3ccc(F)c(F)c3)c3ccn(Cc4ccc(C(F)(F)F)cc4)c23)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 9/20 0.51
PTGDR Q13258 5/20 0.51
TBXA2R P21731 1/20 0.51
PTGER1 P34995 1/20 0.51
PTGFR P43088 1/20 0.51
PTGER3 P43115 1/20 0.51
PTGER2 P43116 1/20 0.51
FABP4 P15090 2/20 0.36
SLC6A9 P48067 2/20 0.36
MPO P05164 2/20 0.35
HIF1A Q16665 1/20 0.35
EPAS1 Q99814 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL25374903 0.87 PTGER4 (0.65) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL30553022 0.87 PTGER4 (0.65) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL30553029 0.83 PTGER4 (0.64) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL25374557 0.83 PTGER4 (0.64) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL30553035 0.81 PTGER4 (0.70) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL30552879 0.80 PTGER4 (0.67) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL25374406 0.80 PTGER4 (0.67) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL25374787 0.80 PTGER4 (0.66) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL25372137 0.79 PTGER4 (0.65) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL31610688 0.78 PTGER4 (0.40) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119487006-A Amide compounds as PGE2 receptor antagonists 广东新契生物医药科技有限公司 2025-02-18 CN disclosed