SCHEMBL11222132

SCHEMBL11222132

Cc1cccc(C)c1N(CC(=O)N1CCC[C@H]1C(=O)O)C(=O)c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 1/20 0.44
▸ ITGB1 P05556 1/20 0.44
▸ ITGAV P06756 1/20 0.44
▸ ITGA5 P08648 1/20 0.44
▸ ITGA4 P13612 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ DPP4 P27487 1/20 0.41
▸ PREP P48147 1/20 0.41
▸ FAP Q12884 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ ACE P12821 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL11220053 0.89 ACE (0.42) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL11321332 0.88 ALDH1A1 (0.44) ALDH1A1
SCHEMBL11326224 0.78 ALDH1A1 (0.41) DPP4ALDH1A1ACE
SCHEMBL11310145 0.77 NPSR1 (0.45) NPSR1ALDH1A1
SCHEMBL11321340 0.74 ALDH1A1 (0.50) NPSR1DPP4ALDH1A1L3MBTL1
SCHEMBL11155524 0.73 HRH3 (0.55) PREPFAPACE
SCHEMBL11220472 0.72 NPSR1 (0.47) ITGB3ITGB1ITGAVITGA5NPSR1
SCHEMBL5741063 0.71 HPGD (0.63) ALDH1A1ACE
SCHEMBL5741058 0.71 HPGD (0.63) ALDH1A1ACE
SCHEMBL22209433 0.71 PREP (0.55) DPP4PREPFAPACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0003056-B1 N-SUBSTITUTED OMEGA-AMINOALKANOYL-OMEGA-AMINOALKANECARBOXYLIC ACIDS, THEIR APPLICATION AND PROCESS FOR THEIR PREPARATION, AND MEDICINES CONTAINING THESE COMPOUNDS Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1982-08-18 — — EP disclosed
US-4250183-A GASTOINTESTINAL DISORDERS; DISEASES OF THE PANCREAS, GALL BLADDER, AND LIVER BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1981-02-10 — — US disclosed
EP-0003056-A1 N-substituted omega-aminoalkanoyl-omega-aminoalkanecarboxylic acids, their application and process for their preparation, and medicines containing these compounds Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1979-07-25 — — EP disclosed
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