SCHEMBL7682220

SCHEMBL7682220

CC(=O)OC(OC(=O)N1CCC(N2CCN(CC(=O)c3ccc(OCC(=O)OC(C)C)cc3)C(=O)C2)CC1)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.36
CHRM2 P08172 2/20 0.36
CHRM1 P11229 1/20 0.36
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
ACHE P22303 8/20 0.34
MAPT P10636 1/20 0.34
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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 SCHEMBL7677797 0.99 GPR119 (0.36) GPR119CHRM2CHRM1HRH2HRH1
SCHEMBL7680097 0.92 CYP2D6 (0.36) CHRM2CHRM1HRH2HRH1ACHE
SCHEMBL7684482 0.92 GPR119 (0.37) GPR119CHRM2CHRM1HRH2HRH1
SCHEMBL7680002 0.90 RAB9A (0.34) GPR119CHRM2CHRM1ACHEMAPT
Hydrochloric Acid SCHEMBL7678493 0.90 RAB9A (0.35) GPR119CHRM2CHRM1ACHEMAPT
SCHEMBL7680625 0.90 ACHE (0.34) GPR119CHRM2CHRM1ACHEMAPT
SCHEMBL7687105 0.88 HRH3 (0.35) GPR119CHRM2CHRM1HRH2HRH1
SCHEMBL7676237 0.88 HRH3 (0.36) GPR119CHRM2CHRM1HRH2HRH1
Hydrochloric Acid SCHEMBL7687054 0.88 HRH3 (0.35) GPR119CHRM2CHRM1HRH2HRH1
SCHEMBL7686844 0.87 GAA (0.36) CHRM2CHRM1HRH2HRH1ACHE

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