SCHEMBL7687431

SCHEMBL7687431

CN(C)C(=O)COC(=O)COc1ccc(C(=O)CN2CCN(C3CCN(C(=O)OC(C)(C)C)CC3)CC2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 13/20 0.44
TP53 P04637 1/20 0.37
HPGD P15428 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL7680850 0.87 TP53 (0.43) GPR119TP53KDM4EALDH1A1
SCHEMBL7677721 0.86 GPR119 (0.36) GPR119ALDH1A1GAA
Hydrochloric Acid SCHEMBL7677838 0.86 L3MBTL1 (0.33) MAPTKMT2AL3MBTL1
SCHEMBL7687050 0.81 CYP2D6 (0.41) MAPTKDM4EALDH1A1GAATSHR
SCHEMBL7681879 0.81 CYP2D6 (0.38) MAPTKDM4EALDH1A1GAATSHR
Hydrochloric Acid SCHEMBL7684461 0.81 CYP2D6 (0.38) MAPTKDM4EALDH1A1GAATSHR
SCHEMBL7680107 0.80 GAA (0.38) MAPTKDM4EALDH1A1GAAL3MBTL1
SCHEMBL7676228 0.80 CYP2D6 (0.40) MAPTKDM4EALDH1A1GAATSHR
SCHEMBL7684996 0.80 GAA (0.42) GPR119MAPTALDH1A1GAAKMT2A
SCHEMBL7677688 0.79 CYP2D6 (0.35) GPR119MAPTKDM4EALDH1A1GAA

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
US-6472397-B1 Nitrogen-containing heterocyclic compounds having antiplatelet aggregation effect and medicinal use thereof MEIJI SEIKA KAISHA, LTD. (JP) 2002-10-29 US disclosed
EP-1070712-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS HAVING ANTIPLATELET AGGREGATION EFFECT AND MEDICINAL USE THEREOF MEIJI SEIKA KAISHA LTD. (JP) 2001-01-24 EP disclosed