SCHEMBL7340347

SCHEMBL7340347

CCOC(=O)CC(NC(=O)CNC(=O)c1cccc(NC(=N)NCc2ccccc2)c1)c1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.41
ITGAV P06756 1/20 0.41
NAMPT P43490 3/20 0.41
TSHR P16473 1/20 0.41
ROCK2 O75116 2/20 0.40
ITGA2B P08514 2/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
GPR139 Q6DWJ6 1/20 0.40
MAPK14 Q16539 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
SUCNR1 Q9BXA5 2/20 0.39
SLC1A2 P43004 1/20 0.38
GRK2 P25098 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL6779485 0.92 NAMPT (0.50) ITGB3ITGAVNAMPTTSHRROCK2
SCHEMBL7832728 0.90 ROCK2 (0.42) ITGB3ITGAVROCK2ITGA2BGPR139
SCHEMBL6774333 0.90 ITGB3 (0.50) ITGB3ITGAVNAMPTTSHRROCK2
SCHEMBL6772228 0.88 GPR139 (0.43) ITGB3NAMPTROCK2ITGA2BGPR139
SCHEMBL7836891 0.88 NAMPT (0.56) ITGB3ITGAVNAMPTTSHRROCK2
SCHEMBL7835665 0.88 ITGB3 (0.45) ITGB3ITGAVROCK2ITGA2BGPR139
SCHEMBL7347790 0.87 LMNA (0.45) ITGB3ITGAVNAMPTTSHRROCK2
SCHEMBL7339949 0.86 ROCK2 (0.44) ITGB3ITGAVROCK2ITGA2BGPR139
SCHEMBL7347786 0.85 GPR139 (0.49) NAMPTTSHRROCK2GPR139ALDH1A1
SCHEMBL7345147 0.85 ROCK2 (0.41) ITGB3ITGAVNAMPTTSHRROCK2

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 5 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