SCHEMBL6179028

SCHEMBL6179028

Cc1ccccc1NC(=O)Nc1ccc(CC(=O)NC(CC(C)C)C(=O)O)cc1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 0.69
ITGA4 P13612 20/20 0.69

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
SCHEMBL7053184 1.00 ITGB1 (0.69) ITGB1ITGA4
SCHEMBL7054193 0.91 ITGB1 (0.69) ITGB1ITGA4
SCHEMBL7024694 0.89 ITGB1 (0.65) ITGB1ITGA4
SCHEMBL7466962 0.89 ITGB1 (0.63) ITGB1ITGA4
SCHEMBL7461396 0.89 ITGB1 (0.63) ITGB1ITGA4
SCHEMBL14528842 0.89 ITGB1 (0.63) ITGB1ITGA4
Isonipecotic Acid SCHEMBL7453781 0.89 ITGB1 (0.75) ITGB1ITGA4
SCHEMBL7055164 0.89 ITGB1 (0.65) ITGB1ITGA4
SCHEMBL7466957 0.88 ITGB1 (0.66) ITGB1ITGA4
SCHEMBL6177419 0.88 ITGB1 (0.63) ITGB1ITGA4

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-1091943-B1 NON-PEPTIDYL INHIBITORS OF VLA-4 DEPENDENT CELL BINDING USEFUL IN TREATING INFLAMMATORY, AUTOIMMUNE, AND RESPIRATORY DISEASES PFIZER PROD INC (US) 2005-11-30 EP disclosed
US-6355662-B1 PEPTIDE AND NONPEPTIDES AUTOIMMUNE DISEASES, ANTIINFLAMMATORY AGENTS PFIZER INC 2002-03-12 US disclosed
US-6306887-B1 AROMATIC UREAS, CARBAMATES AND TRIAMINONITRILES AND HETEROCYCLIC COMPOUNDS PFIZER INC 2001-10-23 US disclosed
EP-1091943-A1 NON-PEPTIDYL INHIBITORS OF VLA-4 DEPENDENT CELL BINDING USEFUL IN TREATING INFLAMMATORY, AUTOIMMUNE, AND RESPIRATORY DISEASES Pfizer Products Inc. (US) 2001-04-18 EP disclosed
WO-2000000477-A1 NON-PEPTIDYL INHIBITORS OF VLA-4 DEPENDENT CELL BINDING USEFUL IN TREATING INFLAMMATORY, AUTOIMMUNE, AND RESPIRATORY DISEASES PFIZER PRODUCTS INC. (US) 2000-01-06 WO disclosed