SCHEMBL7680673

SCHEMBL7680673

CC(C)OC(=O)COc1ccc(C(=O)CN2CCN(C3CCN(C(=O)OCOC(=O)C(C)(C)C)CC3)CC2=O)cc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.35
HRH3 Q9Y5N1 2/20 0.34
CHRM2 P08172 3/20 0.34
CHRM1 P11229 2/20 0.34
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ACHE P22303 5/20 0.33
MAPT P10636 1/20 0.33
HRH2 P25021 2/20 0.33
HRH1 P35367 2/20 0.33
CYP2D6 P10635 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.32

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
SCHEMBL7687105 0.92 HRH3 (0.35) GPR119HRH3CHRM2CHRM1KDM4E
Hydrochloric Acid SCHEMBL7680081 0.91 HRH3 (0.35) GPR119HRH3CHRM2CHRM1KDM4E
SCHEMBL7681879 0.91 CYP2D6 (0.38) HRH3CHRM2CHRM1KDM4EL3MBTL1
Hydrochloric Acid SCHEMBL7687054 0.91 HRH3 (0.35) GPR119HRH3CHRM2CHRM1KDM4E
Hydrochloric Acid SCHEMBL7684461 0.90 CYP2D6 (0.38) HRH3CHRM2CHRM1KDM4EL3MBTL1
SCHEMBL7680314 0.90 ACHE (0.37) HRH3CHRM2KDM4EACHEMAPT
SCHEMBL7684527 0.89 ACHE (0.33) HRH3CHRM2CHRM1KDM4EACHE
SCHEMBL7676237 0.88 HRH3 (0.36) GPR119HRH3CHRM2CHRM1KDM4E
SCHEMBL7680487 0.88 RAB9A (0.35) HRH3KDM4EACHEMAPTHRH2
SCHEMBL7684482 0.84 GPR119 (0.37) GPR119HRH3CHRM2CHRM1KDM4E

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 4 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 claimed
EP-1070712-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS HAVING ANTIPLATELET AGGREGATION EFFECT AND MEDICINAL USE THEREOF MEIJI SEIKA KAISHA LTD. (JP) 2001-01-24 EP claimed
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