SCHEMBL7686845

SCHEMBL7686845

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 4/20 0.38
HRH1 P35367 4/20 0.38
CHRM2 P08172 3/20 0.38
HRH3 Q9Y5N1 2/20 0.38
CHRM1 P11229 2/20 0.38
CYP2D6 P10635 1/20 0.38
CHRM3 P20309 1/20 0.38
GAA P10253 2/20 0.37
ALOX12 P18054 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 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
SCHEMBL7680214 0.88 GAA (0.37) HRH2HRH1CHRM2HRH3CHRM1
SCHEMBL7686844 0.88 GAA (0.36) HRH2HRH1CHRM2HRH3CHRM1
Hydrochloric Acid SCHEMBL7685105 0.88 GAA (0.36) HRH2HRH1CHRM2HRH3CHRM1
SCHEMBL7680107 0.87 GAA (0.38) HRH2HRH1CHRM2HRH3CHRM1
SCHEMBL7687050 0.87 CYP2D6 (0.41) HRH2HRH1CHRM2HRH3CHRM1
Hydrochloric Acid SCHEMBL7684697 0.87 CHRM2 (0.36) HRH2HRH1CHRM2HRH3CHRM1
Hydrochloric Acid SCHEMBL7686863 0.87 CYP2D6 (0.38) HRH2HRH1CHRM2HRH3CHRM1
SCHEMBL7676228 0.86 CYP2D6 (0.40) HRH2HRH1CHRM2HRH3CHRM1
SCHEMBL7687175 0.85 GAA (0.37) HRH2HRH1CHRM2HRH3CHRM1
SCHEMBL7676259 0.85 GAA (0.37) HRH2HRH1CHRM2HRH3CHRM1

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