SCHEMBL6779485

SCHEMBL6779485

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

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.50
TSHR P16473 1/20 0.50
ITGB3 P05106 3/20 0.49
ITGAV P06756 3/20 0.49
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPK14 Q16539 1/20 0.43
LMNA P02545 2/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 2/20 0.42
THRB P10828 1/20 0.41
ROCK2 O75116 1/20 0.41
MAPK1 P28482 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
SCHEMBL7836891 0.95 NAMPT (0.56) NAMPTTSHRITGB3ITGAVKMT2A
SCHEMBL6772228 0.93 GPR139 (0.43) NAMPTITGB3KMT2ASMN1; SMN2MAPK14
SCHEMBL7347790 0.92 LMNA (0.45) NAMPTTSHRITGB3ITGAVKMT2A
SCHEMBL7340347 0.92 ITGB3 (0.41) NAMPTTSHRITGB3ITGAVL3MBTL1
SCHEMBL6773780 0.92 NAMPT (0.49) NAMPTITGB3ITGAVL3MBTL1LMNA
SCHEMBL7340505 0.92 NAMPT (0.46) NAMPTTSHRITGB3ITGAVKMT2A
SCHEMBL7375029 0.90 NPC1 (0.51) NAMPTTSHRITGB3ITGAVKMT2A
SCHEMBL7347786 0.90 GPR139 (0.49) NAMPTTSHRKMT2AROCK2
SCHEMBL7345147 0.90 ROCK2 (0.41) NAMPTTSHRITGB3ITGAVKMT2A
SCHEMBL240965 0.90 ITGB3 (0.59) NAMPTTSHRITGB3ITGAVL3MBTL1

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