SCHEMBL6435636

SCHEMBL6435636

C[C@H](N)C(=O)N1CCC(OCC(=O)O)CC1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.55
ITGA2B P08514 10/20 0.55
SMYD3 Q9H7B4 4/20 0.41
DPP4 P27487 2/20 0.39
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37

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
SCHEMBL6435644 1.00 ITGB3 (0.55) ITGB3ITGA2BSMYD3DPP4HRH2
Hydrochloric Acid SCHEMBL6438357 0.98 ITGB3 (0.54) ITGB3ITGA2BSMYD3DPP4HRH2
Hydrochloric Acid SCHEMBL6438352 0.98 ITGB3 (0.54) ITGB3ITGA2BSMYD3DPP4HRH2
SCHEMBL8381226 0.85 ITGB3 (0.50) ITGB3ITGA2BDPP4HRH2HRH1
SCHEMBL8381227 0.85 ITGB3 (0.50) ITGB3ITGA2BDPP4HRH2HRH1
SCHEMBL8379156 0.81 ITGB3 (0.42) ITGB3ITGA2BSMYD3DPP4HRH2
SCHEMBL15045202 0.81 GPR119 (0.40) ITGB3ITGA2BSMYD3DPP4HRH2
Trifluoroacetic Acid SCHEMBL8481776 0.80 DPP7 (0.43) ITGB3ITGA2BSMYD3DPP4
SCHEMBL8880829 0.79 ITGB3 (0.46) ITGB3ITGA2BHRH2HRH1
SCHEMBL24271978 0.78 ITGB3 (0.45) ITGB3ITGA2B

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1505062-A1 Heterocyclic derivatives and their use as antithrombotic agents Akzo Nobel N.V. (NL) 2005-02-09 EP disclosed
EP-0975600-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS Akzo Nobel N.V. (NL) 2000-02-02 EP disclosed
WO-1998047876-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS AKZO NOBEL N.V. (NL) 1998-10-29 WO disclosed
US-5747522-A ANTICOAGULANTS; ANTIINFLAMMATORY AGENTS; ANTITUMOR AGENTS HOFFMAN-LA ROCHE INC. (US) 1998-05-05 US disclosed
US-5670515-A TREATMENT OF THROMBOSIS, STROKE, CARDIAC INFARCT, INFLAMMATION, AND ARTERIOSCLEROSIS; ANTITUMOR AGENTS, WOUND HEALING AGENTS HOFFMANN-LA ROCHE INC. (US) 1997-09-23 US disclosed