SCHEMBL25376554

SCHEMBL25376554

O=C(O)Cc1ccc(C#CCN2CCOCC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.50
LMNA P02545 2/20 0.49
MMP13 P45452 2/20 0.48
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HRH3 Q9Y5N1 2/20 0.46
RAB9A P51151 2/20 0.46
MAPK1 P28482 1/20 0.46
MAPK14 Q16539 1/20 0.45
MMP2 P08253 1/20 0.43
MMP3 P08254 1/20 0.43
HTT P42858 2/20 0.43
CSF1R P07333 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GRIN1 Q05586 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
SCHEMBL3634873 0.79 LMNA (0.56) LMNAHRH3RAB9AMAPK1MEN1
SCHEMBL5477508 0.77 SMN1; SMN2 (0.63) LMNAKDM4EALDH1A1HRH3RAB9A
SCHEMBL24474658 0.76 LMNA (0.58) LMNAKDM4EALDH1A1TDP1HRH3
SCHEMBL24474667 0.76 LMNA (0.58) LMNAMMP13KDM4EALDH1A1TDP1
SCHEMBL28393218 0.76 LMNA (0.58) LMNAKDM4EALDH1A1TDP1HRH3
SCHEMBL25378778 0.75 SIGMAR1 (0.54) LMNAALDH1A1HRH3RAB9AHTT
SCHEMBL25747232 0.74 LMNA (0.64) LMNAKDM4EALDH1A1TDP1HRH3
SCHEMBL996088 0.73 LMNA (0.53) LMNAKDM4EALDH1A1TDP1HRH3
SCHEMBL2652113 0.73 MEN1 (0.44) LMNAMMP13KDM4EALDH1A1TDP1
SCHEMBL2649726 0.72 ITGB3 (0.60) LMNAALDH1A1MEN1KMT2ASMN1; SMN2

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