SCHEMBL7687175

SCHEMBL7687175

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

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.37
CYP2D6 P10635 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
HRH2 P25021 2/20 0.36
HRH1 P35367 2/20 0.36
CHRM2 P08172 2/20 0.36
ACHE P22303 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
ALOX12 P18054 1/20 0.34
SMN1; SMN2 Q16637 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
Hydrochloric Acid SCHEMBL7676222 0.99 GAA (0.36) GAACYP2D6HRH3HRH2HRH1
SCHEMBL7680214 0.94 GAA (0.37) GAACYP2D6HRH3HRH2HRH1
SCHEMBL7676259 0.94 GAA (0.37) GAACYP2D6HRH3HRH2HRH1
Hydrochloric Acid SCHEMBL7685105 0.93 GAA (0.36) GAACYP2D6HRH3HRH2HRH1
SCHEMBL7680098 0.92 CYP2D6 (0.35) GAACYP2D6HRH3HRH2HRH1
Hydrochloric Acid SCHEMBL7686554 0.92 CYP2D6 (0.35) GAACYP2D6HRH3HRH2HRH1
SCHEMBL7680107 0.91 GAA (0.38) GAACYP2D6HRH3HRH2HRH1
Hydrochloric Acid SCHEMBL7678508 0.91 CYP2D6 (0.35) GAACYP2D6HRH3HRH2HRH1
Hydrochloric Acid SCHEMBL7686863 0.89 CYP2D6 (0.38) GAACYP2D6HRH3HRH2HRH1
SCHEMBL7686844 0.88 GAA (0.36) GAACYP2D6HRH3HRH2HRH1

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