SCHEMBL6773780

SCHEMBL6773780

CCOC(=O)CC(NC(=O)CNC(=O)c1cccc(NC(=O)NCc2ccccc2)c1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.49
ITGB3 P05106 4/20 0.47
ITGAV P06756 4/20 0.47
MAPT P10636 3/20 0.47
THRB P10828 1/20 0.46
PPID Q08752 1/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
GPR139 Q6DWJ6 3/20 0.46
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
CASR P41180 1/20 0.44
TAOK1 Q7L7X3 1/20 0.43
TAOK3 Q9H2K8 1/20 0.43
SLC6A9 P48067 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL7824024 0.94 GPR139 (0.49) NAMPTITGB3ITGAVMAPTTHRB
SCHEMBL7832441 0.93 NAMPT (0.46) NAMPTITGB3ITGAVMAPTTHRB
SCHEMBL6779485 0.92 NAMPT (0.50) NAMPTITGB3ITGAVMAPTTHRB
SCHEMBL6778762 0.88 ITGB3 (0.51) NAMPTITGB3ITGAVMAPTLMNA
SCHEMBL6778398 0.88 ITGB3 (0.59) ITGB3ITGAVLMNAMAPK1GPR139
SCHEMBL7836891 0.87 NAMPT (0.56) NAMPTITGB3ITGAVL3MBTL1
SCHEMBL6776734 0.86 NAMPT (0.48) NAMPTITGB3MAPTTHRBPPID
SCHEMBL3839471 0.86 GPR139 (0.47) ITGB3ITGAVGPR139TAOK1TAOK3
SCHEMBL6778751 0.86 GPR139 (0.47) ITGB3ITGAVGPR139ALDH1A1TAOK1
SCHEMBL7833918 0.85 NAMPT (0.56) NAMPTITGB3ITGAV

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 4 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