SCHEMBL7037993

SCHEMBL7037993

Nc1ccnc(NCCCOc2ccc3c(c2)Cc2ccccc2C(CC(=O)O)C3)c1

nearest known ligand 0.81

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.81
ITGAV P06756 12/20 0.81
ITGA2B P08514 7/20 0.81
ITGB5 P18084 5/20 0.81
ITGB1 P05556 2/20 0.81
PPARD Q03181 6/20 0.43
HTR2A P28223 1/20 0.41
PPARA Q07869 2/20 0.40
FFAR1 O14842 1/20 0.39

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
SCHEMBL7172016 1.00 ITGB3 (0.81) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL7451419 0.90 ITGB3 (0.81) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL7038106 0.90 ITGB3 (0.81) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL7170011 0.90 ITGB3 (0.81) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL7171896 0.90 ITGB3 (0.81) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL6657173 0.90 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL7168382 0.90 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL244383 0.90 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL31321064 0.90 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL30894723 0.90 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB5ITGB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0977735-B1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-03-26 EP claimed
US-6069158-A Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-05-30 US claimed
EP-0977735-B1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-03-26 EP disclosed
US-6191304-B1 REDUCTION OF AN ALKYL 3-ALKYLOXY-11-OXO-10,11-DIHYDRO-5H-DIBENZO(A,D)CYCLOHEPTEN-10-ACETATE BY HYDROGENOLYSIS USING A PALLADIUM/ACTIVATED CARBON CATALYST; INTERMEDIATES FOR3-((4-AMINOPYRID-2-YL)AMINOALKYLENEOXY) DERIVATIVES SMITHKLINE BEECHAM CORPORATION 2001-02-20 US disclosed
EP-1025090-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2000-11-08 EP disclosed
EP-1025090-A1 VITRONECTIN RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2000-08-09 EP disclosed
US-6069158-A Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-05-30 US disclosed
EP-0977735-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2000-04-05 EP disclosed
EP-0977735-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-09 EP disclosed
WO-1999015508-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-01 WO disclosed
WO-1998030542-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-07-16 WO disclosed