SCHEMBL8900162

SCHEMBL8900162

Nc1ccc(C(=O)NCC(=O)N2CCN(CC(=O)O)C(=O)[C@@H]2CC(=O)O)cc1

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.81
ITGA2B P08514 20/20 0.81

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
SCHEMBL7285056 0.90 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL6159953 0.90 ITGB3 (1.00) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7022993 0.89 ITGB3 (0.98) ITGB3ITGA2B
SCHEMBL6156375 0.86 ITGB3 (0.82) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7287107 0.85 ITGB3 (0.81) ITGB3ITGA2B
SCHEMBL6157399 0.85 ITGB3 (0.81) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7284333 0.85 ITGB3 (0.90) ITGB3ITGA2B
SCHEMBL6156687 0.85 ITGB3 (1.00) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7284992 0.85 ITGB3 (0.79) ITGB3ITGA2B
SCHEMBL7276221 0.84 ITGB3 (0.89) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9169742-A None JP disclosed
JP-H09169742-A 2-PIPERAZINONE DERIVATIVE AND USE THEREOF TAKEDA CHEM IND LTD 1997-06-30 JP disclosed