SCHEMBL30581971

SCHEMBL30581971

C[C@@H]1CN(CCOc2ccc(CC(=O)O)cc2)C[C@@H](C)O1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.64
▸ ALDH1A1 P00352 6/20 0.64
▸ MEN1 O00255 3/20 0.62
▸ KMT2A Q03164 3/20 0.62
▸ HTT P42858 3/20 0.60
▸ TDP1 Q9NUW8 1/20 0.58
▸ KDM1A O60341 1/20 0.56
▸ POLB P06746 1/20 0.54
▸ BLM P54132 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ GAA P10253 1/20 0.50

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
SCHEMBL25379822 1.00 KDM4E (0.64) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL25379818 1.00 KDM4E (0.64) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL25376716 0.88 KDM4E (0.58) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL25379898 0.88 KDM4E (0.58) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL25379894 0.88 KDM4E (0.58) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL25381009 0.88 KDM4E (0.58) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL25380103 0.85 DRD1 (0.54) KDM4EALDH1A1MEN1KMT2AKDM1A
SCHEMBL25377523 0.85 DRD1 (0.54) KDM4EALDH1A1MEN1KMT2AKDM1A
SCHEMBL25378439 0.83 KDM1A (0.56) KDM4EKDM1ASMN1; SMN2
SCHEMBL14204986 0.81 KDM4E (0.61) KDM4EALDH1A1MEN1KMT2AHTT

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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