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SCHEMBL7934109

SCHEMBL7934109

COC(=O)C[C@H]1C(=O)N(CC(=O)O)CCN1C(=O)C(CC(=O)N1CCN(c2ccncc2)CC1)NCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 12/20 0.42
▸ ITGA2B P08514 12/20 0.42
▸ ACE P12821 2/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ GFER P55789 1/20 0.35
▸ F2 P00734 2/20 0.34
▸ F10 P00742 2/20 0.34

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
SCHEMBL7365560 1.00 ITGB3 (0.42) ITGB3ITGA2BACECASP1POLB
SCHEMBL7365564 1.00 ITGB3 (0.42) ITGB3ITGA2BACECASP1POLB
SCHEMBL7365965 0.94 ITGB3 (0.43) ITGB3ITGA2BGFER
SCHEMBL7365953 0.94 ITGB3 (0.43) ITGB3ITGA2BGFER
SCHEMBL7365958 0.94 ITGB3 (0.43) ITGB3ITGA2BGFER
Hydrochloric Acid SCHEMBL7370143 0.90 ITGB3 (0.43) ITGB3ITGA2BCASP1
Trifluoroacetic Acid SCHEMBL7369430 0.90 ITGB3 (0.40) ITGB3ITGA2BGFERF10
Trifluoroacetic Acid SCHEMBL7924758 0.90 ITGB3 (0.40) ITGB3ITGA2BGFERF10
SCHEMBL7444700 0.89 ITGB3 (0.45) ITGB3ITGA2BCASP1
Hydrochloric Acid SCHEMBL7933402 0.89 ITGB3 (0.42) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6242600-B1 ANTIISCHEMIC AGENTS, ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-05 — — US disclosed