SCHEMBL7676237

SCHEMBL7676237

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

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.36
GPR119 Q8TDV5 1/20 0.36
CHRM2 P08172 3/20 0.36
CHRM1 P11229 2/20 0.36
ACHE P22303 5/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HRH2 P25021 2/20 0.35
HRH1 P35367 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2D6 P10635 1/20 0.34
GAA P10253 1/20 0.34

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 0.90 HRH3 (0.35) HRH3GPR119CHRM2CHRM1ACHE
SCHEMBL7687050 0.90 CYP2D6 (0.41) HRH3CHRM2CHRM1ACHEMAPT
Hydrochloric Acid SCHEMBL7687054 0.90 HRH3 (0.35) HRH3GPR119CHRM2CHRM1ACHE
Hydrochloric Acid SCHEMBL7680081 0.90 HRH3 (0.35) HRH3GPR119CHRM2CHRM1ACHE
SCHEMBL7684482 0.89 GPR119 (0.37) HRH3GPR119CHRM2CHRM1ACHE
SCHEMBL7680673 0.88 GPR119 (0.35) HRH3GPR119CHRM2CHRM1ACHE
SCHEMBL7682220 0.88 GPR119 (0.36) HRH3GPR119CHRM2CHRM1ACHE
Hydrochloric Acid SCHEMBL7677797 0.87 GPR119 (0.36) HRH3GPR119CHRM2CHRM1ACHE
SCHEMBL7682722 0.86 RAB9A (0.36) HRH3ACHEMAPTKDM4EHRH2
SCHEMBL7680107 0.85 GAA (0.38) HRH3CHRM2CHRM1ACHEMAPT

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