SCHEMBL7344055

SCHEMBL7344055

CCOC(=O)CC(NC(=O)CNC(=O)c1cccc(NC(=N)N)c1)c1cccc(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F7 P08709 5/20 0.46
F2 P00734 3/20 0.46
GPR139 Q6DWJ6 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
ADORA3 P0DMS8 1/20 0.39
F10 P00742 2/20 0.38
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PRSS1 P07477 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL7340341 0.92 F7 (0.41) F7F2GPR139SMN1; SMN2F10
SCHEMBL3839471 0.91 GPR139 (0.47) F2GPR139F10
SCHEMBL7341087 0.90 GPR139 (0.48) F7F2GPR139SMN1; SMN2F10
SCHEMBL7346550 0.89 ITGB3 (0.40) F7F2GPR139
SCHEMBL16918488 0.89 ITGB3 (0.45) F7F2GPR139SMN1; SMN2MAPT
SCHEMBL7341726 0.89 GPR139 (0.42) F7F2GPR139F10ALDH1A1
SCHEMBL7836849 0.88 PKM (0.44) F7F2GPR139SMN1; SMN2
SCHEMBL7834703 0.88 ITGB3 (0.48) F7F2SMN1; SMN2ADORA3
SCHEMBL6773766 0.88 F7 (0.48) F7F2
SCHEMBL7339148 0.87 F7 (0.44) F7F2GPR139SMN1; SMN2F10

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
CN-1201454-A Meta-guanidino, ureido, thioureido or azacyclic aminobenzoic acid derivatives as integrin antagonists SEARLE & CO (US) 1998-12-09 CN 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