SCHEMBL25378441

SCHEMBL25378441

COC(=O)Cc1ccc(OCCN2CCO[C@H](C)C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 4/20 0.51
▸ KDM1A O60341 1/20 0.51
▸ DRD1 P21728 1/20 0.49
▸ DRD3 P35462 4/20 0.47
▸ DRD2 P14416 3/20 0.47
▸ LIPE Q05469 1/20 0.45
▸ KDM4E B2RXH2 4/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ LMNA P02545 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ ACACB O00763 1/20 0.42

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
SCHEMBL25376166 1.00 LTA4H (0.51) LTA4HKDM1ADRD1DRD3DRD2
SCHEMBL25380103 0.89 DRD1 (0.54) LTA4HKDM1ADRD1DRD3DRD2
SCHEMBL25377523 0.89 DRD1 (0.54) LTA4HKDM1ADRD1DRD3DRD2
SCHEMBL25379894 0.86 KDM4E (0.58) LTA4HKDM1AKDM4EALDH1A1LMNA
SCHEMBL25379898 0.86 KDM4E (0.58) LTA4HKDM1AKDM4EALDH1A1LMNA
SCHEMBL25381009 0.86 KDM4E (0.58) LTA4HKDM1AKDM4EALDH1A1LMNA
SCHEMBL25376716 0.86 KDM4E (0.58) LTA4HKDM1AKDM4EALDH1A1LMNA
SCHEMBL7400266 0.83 GAA (0.62) LTA4HKDM1ALIPEKDM4EALDH1A1
SCHEMBL25379791 0.83 KDM1A (0.55) LTA4HKDM1ADRD1DRD3DRD2
SCHEMBL25378487 0.83 KDM1A (0.55) LTA4HKDM1ADRD1DRD3DRD2

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-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
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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