SCHEMBL8120909

SCHEMBL8120909

CC(C)(C)OC(=O)C1N[C@H](C(=O)O)Cc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EPHX2 P34913 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
RECQL P46063 1/20 0.35
FABP7 O15540 1/20 0.35
FABP3 P05413 1/20 0.35
FABP5 Q01469 1/20 0.35
MAPK1 P28482 2/20 0.34
IDO1 P14902 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL1325536 1.00 MAPT (0.43) MAPTGAATSHRNPSR1KDM4E
SCHEMBL29599645 1.00 MAPT (0.43) MAPTGAATSHRNPSR1KDM4E
SCHEMBL2218168 1.00 MAPT (0.43) MAPTGAATSHRNPSR1KDM4E
SCHEMBL2216604 1.00 MAPT (0.43) MAPTGAATSHRNPSR1KDM4E
SCHEMBL3570843 1.00 MAPT (0.43) MAPTGAATSHRNPSR1KDM4E
SCHEMBL21243773 0.83 ESR2 (0.38) MAPTGAAKDM4ESMN1; SMN2MAPK1
SCHEMBL21243769 0.83 ESR2 (0.38) MAPTGAAKDM4ESMN1; SMN2MAPK1
SCHEMBL1202734 0.83 ESR2 (0.38) MAPTGAAKDM4ESMN1; SMN2MAPK1
SCHEMBL28787105 0.82 MAPT (0.53) MAPTGAATSHRNPSR1KDM4E
SCHEMBL27398624 0.82 MAPT (0.53) MAPTGAATSHRNPSR1KDM4E

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 7 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
EP-0720601-B1 GASTRIN AND CCK RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 2000-10-25 EP disclosed
US-5919829-A Gastrin and cck receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 1999-07-06 US disclosed
US-5795907-A Gastin and CCK receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 1998-08-18 US disclosed
EP-0720601-A1 GASTRIN AND CCK RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 1996-07-10 EP disclosed
WO-1995004720-A2 GASTRIN AND CCK RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 1995-02-16 WO disclosed