SCHEMBL9041150

SCHEMBL9041150

CC(C)(C)OC(=O)N[C@@H](CCCN)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 8/20 0.56
▸ ITGA2B P08514 8/20 0.56
▸ ACE P12821 2/20 0.52
▸ F2 P00734 1/20 0.47
▸ PRSS1 P07477 1/20 0.47
▸ CMA1 P23946 1/20 0.46

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
SCHEMBL7286797 0.97 ITGB3 (0.60) ITGB3ITGA2BACE
SCHEMBL9041411 0.97 ITGB3 (0.60) ITGB3ITGA2BACE
Methanesulfonamide SCHEMBL11103046 0.92 ITGB3 (0.56) ITGB3ITGA2BACE
SCHEMBL7313646 0.88 ITGB3 (0.58) ITGB3ITGA2BACEF2PRSS1
SCHEMBL7288661 0.88 ITGB3 (0.58) ITGB3ITGA2BACEF2PRSS1
SCHEMBL13667609 0.88 ACE (0.55) ITGB3ITGA2BACEF2PRSS1
SCHEMBL16924987 0.87 ITGB3 (0.52) ITGB3ITGA2BACEF2PRSS1
SCHEMBL4974213 0.87 ACE (0.55) ITGB3ITGA2BACEF2PRSS1
SCHEMBL9547566 0.87 ACE (0.55) ITGB3ITGA2BACEF2PRSS1
SCHEMBL30892670 0.86 ITGB3 (0.49) ITGB3ITGA2BACEF2PRSS1

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
EP-0523449-B1 Reductive amination of an aminoacid or an aminoacid derivative with an alpha-keto acid or an alpha-keto acid derivative DEGUSSA (DE) 1996-05-15 — — EP disclosed
EP-0523449-A2 Reductive amination of an aminoacid or an aminoacid derivative with an alpha-keto acid or an alpha-keto acid derivative DEGUSSA AG (DE) 1993-01-20 — — EP disclosed
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