SCHEMBL7684334

SCHEMBL7684334

CCOC(=O)COc1ccc(C(=O)CN2CCN(C=O)CC2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
ATM Q13315 1/20 0.41
PTPN1 P18031 1/20 0.39
AOC3 Q16853 2/20 0.39
TSHR P16473 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPK1 P28482 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL7400454 0.80 HRH3 (0.48) GAANPSR1ALDH1A1MAPTATM
SCHEMBL7684996 0.80 GAA (0.42) GAANPSR1ALDH1A1MAPT
SCHEMBL9030284 0.79 POLB (0.39) GAANPSR1ALDH1A1MAPTATM
Hydrochloric Acid SCHEMBL7684842 0.78 NPSR1 (0.43) GAANPSR1ALDH1A1MAPTATM
Hydrochloric Acid SCHEMBL7680655 0.78 POLB (0.38) GAANPSR1ALDH1A1MAPTATM
SCHEMBL7687050 0.75 CYP2D6 (0.41) GAAALDH1A1MAPTTSHRKDM4E
SCHEMBL7680107 0.74 GAA (0.38) GAAALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL7676228 0.74 CYP2D6 (0.40) GAAALDH1A1MAPTTSHRKDM4E
SCHEMBL9031736 0.72 USP2 (0.35) ALDH1A1MAPTATMPOLB
Hydrochloric Acid SCHEMBL7686863 0.72 CYP2D6 (0.38) GAAALDH1A1MAPTTSHRKDM4E

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