SCHEMBL21225846

SCHEMBL21225846

Cn1cc(C(=O)NC2(c3ccc(C(=O)O)cc3)CC2)c2c(Oc3ccc(C(F)(F)F)cc3)cccc21

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 17/20 0.49
PTGDR Q13258 2/20 0.49
PTGER2 P43116 2/20 0.49
TBXA2R P21731 1/20 0.49
PTGER1 P34995 1/20 0.49
PTGFR P43088 1/20 0.49
PTGER3 P43115 1/20 0.49
SLC6A9 P48067 2/20 0.40

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
SCHEMBL21225843 0.92 PTGER4 (0.42) PTGER4PTGDRPTGER2TBXA2RPTGER1
SCHEMBL21232942 0.92 PDE2A (0.43) PTGER4PTGDRPTGER2TBXA2RPTGER1
SCHEMBL29225608 0.90 SLC6A9 (0.44) PTGER4PTGDRPTGER2TBXA2RPTGER1
SCHEMBL21225421 0.82 PTGER4 (0.51) PTGER4PTGDRPTGER2TBXA2RPTGER1
SCHEMBL21225765 0.81 PTGER4 (0.49) PTGER4PTGDRPTGER2TBXA2RPTGER1
SCHEMBL21225068 0.81 PTGER4 (0.49) PTGER4PTGDRPTGER2TBXA2RPTGER1
SCHEMBL21225779 0.81 PTGER4 (0.50) PTGER4PTGDRPTGER2
SCHEMBL21225778 0.81 PTGER4 (0.50) PTGER4PTGDRPTGER2
SCHEMBL21225736 0.80 SCN9A (0.41) PTGER3
SCHEMBL30740359 0.80 SCN9A (0.41) PTGER3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111936138-B Heterobicyclic compounds as EP4 receptor antagonists 深圳市原力生命科学有限公司 2024-03-08 CN claimed
CN-111936138-A Heterobicyclic compounds as EP4 receptor antagonists 深圳市原力生命科学有限公司 2020-11-13 CN disclosed
WO-2019152982-A1 HETEROBICYCLIC COMPOUNDS AS EP4 ANTAGONISTS SHENZHEN IONOVA LIFE SCIENCE CO., LTD. (CN) 2019-08-08 WO disclosed
WO-2019152982-A1 HETEROBICYCLIC COMPOUNDS AS EP4 ANTAGONISTS SHENZHEN IONOVA LIFE SCIENCE CO., LTD. (CN) 2019-08-08 WO disclosed