SCHEMBL7684757

SCHEMBL7684757

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

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.37
GPR119 Q8TDV5 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
KDM4E B2RXH2 4/20 0.34
TDP1 Q9NUW8 4/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
POLB P06746 1/20 0.34
HRH1 P35367 2/20 0.34
CCR3 P51677 1/20 0.34
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
HRH2 P25021 1/20 0.33

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
SCHEMBL7684482 0.92 GPR119 (0.37) ACHEGPR119CHRM2CHRM1KDM4E
SCHEMBL7676252 0.92 ACHE (0.35) ACHEGPR119CHRM2CHRM1KDM4E
SCHEMBL7676259 0.90 GAA (0.37) ACHECHRM2CHRM1KDM4EALDH1A1
SCHEMBL7678453 0.89 CHRM2 (0.38) ACHECHRM2CHRM1KDM4ETDP1
SCHEMBL7686984 0.88 RAB9A (0.35) ACHEGPR119CHRM2CHRM1KDM4E
SCHEMBL7837219 0.88 HRH2 (0.40) GPR119CHRM2CHRM1ALDH1A1SMN1; SMN2
SCHEMBL7680235 0.88 ACHE (0.35) ACHEGPR119CHRM2CHRM1KDM4E
SCHEMBL7677721 0.88 GPR119 (0.36) ACHEGPR119CHRM2CHRM1ALDH1A1
SCHEMBL7687315 0.87 HRH2 (0.36) ACHEGPR119CHRM2CHRM1ALDH1A1
SCHEMBL7682729 0.87 ACHE (0.33) ACHEGPR119CHRM2CHRM1HRH1

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 1 patent. 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