SCHEMBL6774333

SCHEMBL6774333

N=C(NCc1ccccc1)Nc1cccc(C(=O)NCC(=O)NC(CC(=O)O)c2cccnc2)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.50
ITGAV P06756 10/20 0.50
ITGA2B P08514 5/20 0.49
SUCNR1 Q9BXA5 2/20 0.48
NAMPT P43490 1/20 0.44
TSHR P16473 1/20 0.43
ITGB1 P05556 4/20 0.42
ITGA5 P08648 4/20 0.42
MDM2 Q00987 2/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MDM4 O15151 1/20 0.42
ITGB5 P18084 1/20 0.42
ITGB6 P18564 1/20 0.42
ITGB8 P26012 1/20 0.42
ITGA8 P53708 1/20 0.42
ROCK2 O75116 1/20 0.42

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
SCHEMBL240966 0.92 ITGB3 (0.59) ITGB3ITGAVITGA2BSUCNR1NAMPT
SCHEMBL240965 0.92 ITGB3 (0.59) ITGB3ITGAVITGA2BSUCNR1NAMPT
SCHEMBL7340347 0.90 ITGB3 (0.41) ITGB3ITGAVITGA2BSUCNR1NAMPT
SCHEMBL27502370 0.89 ITGB3 (0.50) ITGB3ITGAVITGA2BSUCNR1ITGB1
SCHEMBL6778673 0.89 ITGB3 (0.53) ITGB3ITGAVITGA2BSUCNR1ITGB1
SCHEMBL7370194 0.88 TSHR (0.58) ITGB3ITGAVITGA2BSUCNR1NAMPT
SCHEMBL6777422 0.87 ITGB3 (0.54) ITGB3ITGAVITGA2BSUCNR1NAMPT
SCHEMBL6776653 0.87 ITGB3 (0.58) ITGB3ITGAVITGA2BSUCNR1ITGB1
SCHEMBL6778483 0.87 SUCNR1 (0.53) ITGB3ITGAVITGA2BSUCNR1ITGB1
SCHEMBL29391928 0.85 ITGB3 (0.55) ITGB3ITGAVITGA2BSUCNR1ITGB1

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
CN-1201454-A Meta-guanidino, ureido, thioureido or azacyclic aminobenzoic acid derivatives as integrin antagonists SEARLE & CO (US) 1998-12-09 CN 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
US-6831199-B1 In order to avoid bleeding side-effects when treating the conditions associated with integrin alpha v beta 3, it is beneficial to have compounds which are selective antagonists for alpha v beta 3 versus alpha IIb beta 3 G. D. SEARLE & CO. 2004-12-14 US disclosed
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