SCHEMBL7340506

SCHEMBL7340506

CCOC(=O)CC(NC(=O)CNC(=O)c1cccc(NC(=N)N)c1)c1cc(C)ccc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.49
ITGB1 P05556 3/20 0.49
ITGAV P06756 3/20 0.49
ITGA5 P08648 3/20 0.49
ITGB5 P18084 3/20 0.49
ITGB6 P18564 3/20 0.49
ITGB8 P26012 3/20 0.49
ITGA8 P53708 3/20 0.49
GPR139 Q6DWJ6 1/20 0.41
F2 P00734 1/20 0.41
F7 P08709 1/20 0.41
LMNA P02545 2/20 0.39
GAA P10253 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL6778768 0.89 ITGB3 (0.60) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL7341726 0.88 GPR139 (0.42) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL3839471 0.87 GPR139 (0.47) ITGB3ITGB1ITGAVITGA5GPR139
SCHEMBL7339495 0.85 KMT2A (0.44) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL7344103 0.85 ITGB3 (0.46) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL7834703 0.85 ITGB3 (0.48) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL7340341 0.84 F7 (0.41) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL7337752 0.84 NPC1 (0.44) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL7836067 0.84 ITGB3 (0.52) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL7823382 0.84 MAPT (0.41) ITGB3ITGB1ITGAVITGA5ITGB5

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
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
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