SCHEMBL7684789

SCHEMBL7684789

COC(=O)N1CCC(N2CCN(CC(=O)c3ccc(OCC(=O)O)cc3)C(=O)C2)CC1c1oc(=O)oc1C

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.31
ITGB3 P05106 1/20 0.30
ITGA2B P08514 1/20 0.30

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
SCHEMBL7837763 0.90 HRH2 (0.34) HRH3
SCHEMBL7686906 0.90 RAB9A (0.34) HRH3
SCHEMBL7687003 0.87 SMN1; SMN2 (0.32)
SCHEMBL7684783 0.79 ACHE (0.35) HRH3
SCHEMBL7680850 0.73 TP53 (0.43)
SCHEMBL8314973 0.73 ITGB3 (0.39) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7682728 0.73 ITGB3 (0.39) ITGB3ITGA2B
SCHEMBL7684487 0.72 ACHE (0.38) HRH3
SCHEMBL9031736 0.72 USP2 (0.35) HRH3
SCHEMBL7684757 0.71 ACHE (0.37) HRH3ITGB3ITGA2B

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