SCHEMBL6783207

SCHEMBL6783207

N=C(N)Nc1cccc(C(=O)NCC(=O)NC(CCC(=O)O)Sc2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.42
ITGB1 P05556 7/20 0.42
ITGAV P06756 7/20 0.42
ITGA5 P08648 7/20 0.42
MDM2 Q00987 6/20 0.42
MDM4 O15151 4/20 0.42
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GPR139 Q6DWJ6 6/20 0.40
F10 P00742 2/20 0.40
ITGA2B P08514 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 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
SCHEMBL6778984 0.89 F3 (0.41) ITGB3ITGB1ITGAVITGA5MDM2
SCHEMBL6777985 0.88 F10 (0.45) F10MEN1KMT2A
SCHEMBL7347747 0.85 ITGB3 (0.47) ITGB3ITGB1ITGAVITGA5MDM2
SCHEMBL6776395 0.85 ITGB3 (0.45) ITGB3ITGB1ITGAVITGA5MDM2
SCHEMBL6783191 0.81 ITGB1 (0.42) ITGB3ITGB1ITGAVITGA5MDM2
SCHEMBL6783201 0.80 PLA2G10 (0.43) ITGB3ITGB1ITGAVITGA5MDM2
SCHEMBL27485850 0.80 ITGB3 (0.40) ITGB3ITGB1ITGAVITGA5MDM2
SCHEMBL6776376 0.80 ITGB3 (0.45) ITGB3ITGB1ITGAVITGA5MDM2
SCHEMBL6780097 0.79 ITGB3 (0.47) ITGB3ITGB1ITGAVITGA5MDM2
SCHEMBL6773153 0.79 ITGB3 (0.55) ITGB3HTTL3MBTL1F10ITGA2B

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
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-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