SCHEMBL6777032

SCHEMBL6777032

O=C(O)CC(NC(=O)CNC(=O)c1cccc(NC(=O)NCCc2ccccc2)c1)c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.50
ITGAV P06756 5/20 0.50
SUCNR1 Q9BXA5 2/20 0.48
MEN1 O00255 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ADRB2 P07550 3/20 0.47
ADRB1 P08588 3/20 0.47
ADRB3 P13945 3/20 0.47
PRMT3 O60678 1/20 0.46
LMNA P02545 1/20 0.46
ITGA2B P08514 4/20 0.45
TSHR P16473 1/20 0.45
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MAPT P10636 1/20 0.44
ROCK2 O75116 1/20 0.44

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) ITGB3ITGAVSUCNR1NPC1SMN1; SMN2
SCHEMBL240965 0.92 ITGB3 (0.59) ITGB3ITGAVSUCNR1NPC1SMN1; SMN2
SCHEMBL7834191 0.91 SUCNR1 (0.50) ITGB3ITGAVSUCNR1ITGA2BTSHR
SCHEMBL6778483 0.90 SUCNR1 (0.53) ITGB3ITGAVSUCNR1ITGA2B
SCHEMBL7347790 0.90 LMNA (0.45) ITGB3ITGAVMEN1NPC1RAB9A
SCHEMBL7370194 0.90 TSHR (0.58) ITGB3ITGAVSUCNR1MEN1NPC1
SCHEMBL6777422 0.87 ITGB3 (0.54) ITGB3ITGAVSUCNR1NPC1SMN1; SMN2
SCHEMBL6773593 0.87 SUCNR1 (0.50) ITGB3ITGAVSUCNR1ITGA2B
SCHEMBL6772994 0.86 GPR139 (0.52) ITGB3ITGAVSUCNR1MEN1KMT2A
SCHEMBL27502370 0.86 ITGB3 (0.50) ITGB3ITGAVSUCNR1ITGA2B

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 6 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