SCHEMBL7340920

SCHEMBL7340920

NN=CNc1cccc(C(=O)NCC(=O)NC(CC(=O)O)C(=O)NCCO)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.54
ITGB1 P05556 10/20 0.54
ITGAV P06756 10/20 0.54
ITGA5 P08648 10/20 0.54
MDM4 O15151 4/20 0.54
MDM2 Q00987 7/20 0.51
ITGA2B P08514 2/20 0.40
ITGB5 P18084 2/20 0.40
ITGB6 P18564 2/20 0.40
ITGB8 P26012 2/20 0.40
ITGA8 P53708 2/20 0.40
GPR139 Q6DWJ6 7/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL6777290 0.86 ITGB3 (0.54) ITGB3ITGB1ITGAVITGA5MDM4
SCHEMBL6780118 0.86 ITGB3 (0.47) ITGB3ITGB1ITGAVITGA5MDM4
SCHEMBL6775451 0.84 ITGB3 (0.46) ITGB3ITGB1ITGAVITGA5MDM4
SCHEMBL7339304 0.82 ITGB3 (0.45) ITGB3ITGB1ITGAVITGA5MDM4
SCHEMBL6782755 0.82 ITGB3 (0.51) ITGB3ITGB1ITGAVITGA5MDM4
SCHEMBL6783229 0.82 ITGB3 (0.48) ITGB3ITGB1ITGAVITGA5MDM4
SCHEMBL7347755 0.82 ITGB3 (0.43) ITGB3ITGB1ITGAVITGA5MDM4
SCHEMBL612700 0.81 ITGB3 (0.49) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL7341209 0.80 GPR139 (0.52) ITGB3ITGB1ITGAVITGA5MDM4
SCHEMBL7833841 0.80 ITGB3 (0.49) ITGB3ITGB1ITGAVITGA5MDM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0850221-B1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2001-07-18 EP claimed
EP-0850221-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1998-07-01 EP claimed
WO-1997008145-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-03-06 WO claimed
EP-0850221-B1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2001-07-18 EP disclosed
US-6028223-A AN INTEGRIN ANTAGONISTS TREATING BONE DISORDER, PERIODONTAL DISEASE, OSTEOPOROSIS, HUMORAL HYPERCALCEMIA OF MALIGNANCY, PAGET'S DISEASE, TUMOR ANGIOGENESIS, DIABETIC RETINOPATHY, ARTHRITIS, SMOOTH MUSCLE CELL MIGRATION AND RESTENOSIS G. D. SEARLE & CO. (US) 2000-02-22 US disclosed
EP-0850221-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1998-07-01 EP disclosed
WO-1997008145-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-03-06 WO disclosed