SCHEMBL6783154

SCHEMBL6783154

N=C(N)Nc1ccc(Cl)c(C(=O)NCC(=O)NC(CC(=O)O)c2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.52
ITGA2B P08514 9/20 0.52
GPR139 Q6DWJ6 4/20 0.50
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
F7 P08709 2/20 0.43
CTSA P10619 1/20 0.43
ITGAV P06756 1/20 0.42
GAA P10253 1/20 0.41

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
SCHEMBL6783164 0.85 GPR139 (0.49) ITGB3ITGA2BGPR139MEN1KMT2A
SCHEMBL6779270 0.84 ITGB3 (0.56) ITGB3ITGA2BGPR139MEN1KMT2A
SCHEMBL242674 0.84 ITGB3 (0.55) ITGB3ITGA2BGPR139MEN1KMT2A
SCHEMBL6779352 0.83 ITGB3 (0.41) ITGB3ITGA2BGPR139ITGAV
SCHEMBL6778074 0.81 GPR139 (0.47) ITGB3ITGA2BGPR139MEN1KMT2A
SCHEMBL14450496 0.81 PTGDR2 (0.44) ITGB3ITGA2BPOLBCTSA
SCHEMBL6772198 0.80 GPR139 (0.53) ITGB3ITGA2BGPR139MEN1KMT2A
SCHEMBL6778577 0.79 ITGB3 (0.50) ITGB3ITGA2BITGAV
Trifluoroacetic Acid SCHEMBL3835291 0.79 ITGB3 (0.51) ITGB3ITGA2BGPR139ITGAV
SCHEMBL244261 0.78 ITGB3 (0.50) ITGB3ITGA2BGPR139MEN1KMT2A

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