SCHEMBL6777052

SCHEMBL6777052

N=C(N)Nc1cccc(C(=O)NCC(=O)NC(CC(=O)O)c2ccc3c(c2)OCO3)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.59
ITGA2B P08514 7/20 0.59
ITGAV P06756 5/20 0.48
HSD17B10 Q99714 2/20 0.47
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
POLB P06746 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
AGBL2 Q5U5Z8 1/20 0.43
ITGB1 P05556 1/20 0.43
ITGA5 P08648 1/20 0.43
ITGB5 P18084 1/20 0.43

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
SCHEMBL7834692 0.90 ITGB3 (0.54) ITGB3ITGA2BITGAVHSD17B10MAPT
SCHEMBL7835572 0.89 ITGB3 (0.45) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL7823058 0.89 RAB9A (0.50) ITGB3ITGA2BHSD17B10MAPTSMN1; SMN2
SCHEMBL27484811 0.87 ITGB3 (0.52) ITGB3ITGA2BITGAVHSD17B10LMNA
SCHEMBL6778435 0.86 ITGB3 (0.47) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL7823055 0.86 ITGB3 (0.43) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL6783235 0.86 ITGB3 (0.60) ITGB3ITGA2BITGAVHSD17B10SMN1; SMN2
SCHEMBL6778083 0.86 ITGB3 (0.44) ITGB3ITGA2BITGAVHSD17B10MAPT
SCHEMBL27484097 0.85 RAB9A (0.46) ITGB3ITGA2BHSD17B10MAPTSMN1; SMN2
SCHEMBL242674 0.85 ITGB3 (0.55) ITGB3ITGA2BITGAVMEN1KMT2A

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 10 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
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
EP-0971888-A1 2-ALKYL-19-NOR-VITAMIN D COMPOUNDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2000-01-19 EP disclosed
EP-0970047-A1 2-ALKYLIDENE-19-NOR-VITAMIN D COMPOUNDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2000-01-12 EP disclosed
WO-1998041500-A1 2-ALKYL-19-NOR-VITAMIN D COMPOUNDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1998-09-24 WO disclosed
WO-1998041501-A1 2-ALKYLIDENE-19-NOR-VITAMIN D COMPOUNDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1998-09-24 WO disclosed