SCHEMBL7684996

SCHEMBL7684996

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
HRH2 P25021 7/20 0.41
HRH1 P35367 7/20 0.41
GPR119 Q8TDV5 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SIRT3 Q9NTG7 1/20 0.39
CYP2D6 P10635 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
TPSAB1 Q15661 1/20 0.39
TPSD1 Q9BZJ3 1/20 0.39
TPSG1 Q9NRR2 1/20 0.39
AOC2 O75106 1/20 0.39
MAOA P21397 1/20 0.39

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
SCHEMBL7364769 0.90 MAPT (0.40) GPR119ALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL7684334 0.80 GAA (0.42) GAAALDH1A1MAPTNPSR1
SCHEMBL7687431 0.80 GPR119 (0.44) GAAGPR119ALDH1A1MAPTKMT2A
SCHEMBL9030284 0.77 POLB (0.39) GAAHRH2HRH1ALDH1A1MAPT
SCHEMBL7400454 0.77 HRH3 (0.48) GAAHRH1ALDH1A1MAPTNPSR1
SCHEMBL9030646 0.77 GPR119 (0.44) HRH2HRH1GPR119SIRT3CYP2D6
Hydrochloric Acid SCHEMBL7680655 0.77 POLB (0.38) GAAALDH1A1MAPTNPSR1CYP2D6
SCHEMBL7681879 0.76 CYP2D6 (0.38) GAAHRH2HRH1ALDH1A1MAPT
SCHEMBL12814098 0.76 NPSR1 (0.55) GAAGPR119ALDH1A1MAPTSMN1; SMN2
SCHEMBL7680850 0.76 TP53 (0.43) GPR119ALDH1A1

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