SCHEMBL30754102

SCHEMBL30754102

COC(=O)c1ccc(CCN2C(=O)CCN2CCC(=O)c2cccc(Br)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 17/20 0.54
PTGER4 P35408 16/20 0.54
ABCB1 P08183 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
IDH1 O75874 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL30754089 1.00 PTGER2 (0.54) PTGER2PTGER4ABCB1ABCG2IDH1
SCHEMBL30754077 0.88 PTGER4 (0.46) PTGER2PTGER4ABCB1ABCG2
SCHEMBL30754106 0.88 PTGER4 (0.46) PTGER2PTGER4ABCB1ABCG2
SCHEMBL30754081 0.87 PTGER4 (0.45) PTGER2PTGER4ABCB1ABCG2
SCHEMBL31490043 0.84 PTGER2 (0.52) PTGER2PTGER4
SCHEMBL4082485 0.82 PTGER2 (0.48) PTGER2PTGER4
SCHEMBL30754114 0.82 PTGER4 (0.45) PTGER2PTGER4
SCHEMBL30754092 0.81 PTGER4 (0.42) PTGER2PTGER4
SCHEMBL4077381 0.80 PTGER4 (0.43) PTGER2PTGER4
SCHEMBL1057599 0.79 PTGER4 (0.47) PTGER2PTGER4

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-4565565-A1 1,2-SUBSTITUTED 3-OXOPYRAZOLIDINE DERIVATIVES AS PROSTAGLANDIN E2 RECEPTOR 4 (EP4) AGONISTS FOR THE TREATMENT OF GASTROINTESTINAL AND PULMONARY DISEASES Nxera Pharma UK Limited (GB) 2025-06-11 EP disclosed
WO-2024028601-A1 1,2-SUBSTITUTED 3-OXOPYRAZOLIDINE DERIVATIVES AS PROSTAGLANDIN E2 RECEPTOR 4 (EP4) AGONISTS FOR THE TREATMENT OF GASTROINTESTINAL AND PULMONARY DISEASES HEPTARES THERAPEUTICS LIMITED (GB) 2024-02-08 WO disclosed