SCHEMBL7686844

SCHEMBL7686844

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
CHRM2 P08172 2/20 0.36
CYP2D6 P10635 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
HRH2 P25021 3/20 0.36
HRH1 P35367 3/20 0.36
TSHR P16473 1/20 0.35
ACHE P22303 1/20 0.35
KDM4E B2RXH2 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 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
Hydrochloric Acid SCHEMBL7684697 0.99 CHRM2 (0.36) GAACHRM2CYP2D6HRH3CHRM1
SCHEMBL7680097 0.95 CYP2D6 (0.36) GAACHRM2CYP2D6HRH3CHRM1
Hydrochloric Acid SCHEMBL7686554 0.94 CYP2D6 (0.35) GAACHRM2CYP2D6HRH3CHRM1
SCHEMBL7680214 0.93 GAA (0.37) GAACHRM2CYP2D6HRH3CHRM1
SCHEMBL7683139 0.93 CYP2D6 (0.34) GAACHRM2CYP2D6HRH3CHRM1
Hydrochloric Acid SCHEMBL7685105 0.92 GAA (0.36) GAACHRM2CYP2D6HRH3CHRM1
Hydrochloric Acid SCHEMBL7684909 0.92 CYP2D6 (0.34) GAACHRM2CYP2D6HRH3CHRM1
SCHEMBL7680107 0.91 GAA (0.38) GAACHRM2CYP2D6HRH3CHRM1
SCHEMBL7687175 0.88 GAA (0.37) GAACHRM2CYP2D6HRH3CHRM1
SCHEMBL7676259 0.88 GAA (0.37) GAACHRM2CYP2D6HRH3CHRM1

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