SCHEMBL30455071

SCHEMBL30455071

O=C(O)c1ccc2ccn(CC3CCO3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.46
▸ PTGER4 P35408 2/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ KDM4C Q9H3R0 1/20 0.41
▸ PLA2G4A P47712 1/20 0.39
▸ TSHR P16473 2/20 0.39
▸ GRIN2B Q13224 2/20 0.38
▸ MAP3K5 Q99683 1/20 0.38
▸ HTT P42858 1/20 0.37
▸ KMO O15229 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ NR1H4 Q96RI1 1/20 0.37

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
SCHEMBL27157383 0.81 MCL1 (0.45) MCL1PTGER4ALDH1A1KDM4ELMNA
SCHEMBL28312615 0.81 KDM4E (0.50) MCL1ALDH1A1KDM4ELMNACYP3A4
SCHEMBL23361781 0.77 FGFR1 (0.47) PTGER4KDM4CPLA2G4AGRIN2B
SCHEMBL29393184 0.77 FGFR1 (0.47) PTGER4KDM4CPLA2G4AGRIN2B
SCHEMBL30548170 0.77 FGFR1 (0.47) PTGER4KDM4CPLA2G4AGRIN2B
SCHEMBL20268541 0.77 FGFR1 (0.47) PTGER4KDM4CPLA2G4AGRIN2B
Ammonia Solution, Strong SCHEMBL30676125 0.76 FGFR1 (0.46) PTGER4KDM4CPLA2G4AGRIN2B
SCHEMBL31140564 0.75 PTGER4 (0.48) PTGER4
SCHEMBL28586562 0.75 CNR2 (0.46) PLA2G4AEPHX2
SCHEMBL28246496 0.75 MCL1 (0.54) MCL1ALDH1A1KDM4ELMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117242067-B Novel aryl ether substituted heterocycles as GLP1R agonists 杭州德睿智药科技有限公司 2025-03-25 — — CN disclosed
CN-117242067-A Novel aryl ether substituted heterocycles as GLP1R agonists 杭州德睿智药科技有限公司 2023-12-15 — — CN disclosed
CN-113227068-B GLP-1R agonists and uses thereof 上海齐鲁锐格医药研发有限公司 2023-06-13 — — CN disclosed
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