SCHEMBL25377523

SCHEMBL25377523

C[C@H]1CN(CCOc2ccc(CC(=O)O)cc2)CCO1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DRD1 P21728 1/20 0.54
▸ HRH1 P35367 2/20 0.48
▸ KDM4E B2RXH2 4/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ LMNA P02545 1/20 0.48
▸ KDM1A O60341 1/20 0.48
▸ LTA4H P09960 5/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ DRD2 P14416 1/20 0.47
▸ DRD3 P35462 1/20 0.47
▸ GAA P10253 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ TBXAS1 P24557 1/20 0.46

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
SCHEMBL25380103 1.00 DRD1 (0.54) DRD1HRH1KDM4EALDH1A1LMNA
SCHEMBL25376166 0.89 LTA4H (0.51) DRD1KDM4EALDH1A1LMNAKDM1A
SCHEMBL25378441 0.89 LTA4H (0.51) DRD1KDM4EALDH1A1LMNAKDM1A
SCHEMBL30581971 0.85 KDM4E (0.64) KDM4EALDH1A1KDM1AMEN1KMT2A
SCHEMBL25379822 0.85 KDM4E (0.64) KDM4EALDH1A1KDM1AMEN1KMT2A
SCHEMBL25379818 0.85 KDM4E (0.64) KDM4EALDH1A1KDM1AMEN1KMT2A
SCHEMBL30581938 0.83 DRD1 (0.48) DRD1KDM4EALDH1A1LMNAKDM1A
SCHEMBL3569060 0.81 LTA4H (0.67) KDM4EALDH1A1LTA4HGAASMN1; SMN2
SCHEMBL31263779 0.81 KDM4E (0.51) DRD1KDM4EALDH1A1LMNAMEN1
SCHEMBL25156061 0.79 ALDH1A1 (0.49) DRD1KDM4EALDH1A1LMNAMEN1

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
EP-4482832-A1 5-[7-(3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBONYL)-1,2,3,4 TETRAHYDROISOQUINOLIN-6-Y L]-1H-PYRROLE-3-CARBOXAMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS PRO-APOPTOTIC AGENTS Les Laboratoires Servier (FR) 2025-01-01 — — EP disclosed
CN-119053587-A 5- [7- (3, 4-Dihydro-1H-isoquinoline-2-carbonyl) -1,2,3,4 tetrahydroisoquinolin-6-yl ] -1H-pyrrole-3-carboxamide derivatives, pharmaceutical compositions containing same and use thereof as pro-apoptotic agents 法国施维雅药厂 2024-11-29 — — CN disclosed
WO-2023161317-A1 5-[7-(3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBONYL)-1,2,3,4 TETRAHYDROISOQUINOLIN-6-Y L]-1H-PYRROLE-3-CARBOXAMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS PRO-APOPTOTIC AGENTS LES LABORATOIRES SERVIER (FR) 2023-08-31 — — WO disclosed
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