SCHEMBL7340251

SCHEMBL7340251

CCOC(=O)CCc1cccc(NC(=O)CNC(=O)c2cccc(NC(=O)NCc3ccccc3)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
SENP1 Q9P0U3 4/20 0.52
NAMPT P43490 2/20 0.52
ALDH1A1 P00352 3/20 0.49
HPGD P15428 2/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PPID Q08752 1/20 0.48
THRB P10828 1/20 0.48
MAPK1 P28482 2/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 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
SCHEMBL7861953 0.91 NAMPT (0.55) MAPTSENP1NAMPTALDH1A1HPGD
SCHEMBL8499211 0.89 LMNA (0.54) MAPTSENP1NAMPTALDH1A1HPGD
SCHEMBL7837395 0.89 NAMPT (0.53) MAPTNAMPTALDH1A1HPGDMEN1
SCHEMBL7372874 0.86 NAMPT (0.57) MAPTNAMPTALDH1A1HPGDMEN1
SCHEMBL7348853 0.85 MAPT (0.51) MAPTSENP1ALDH1A1HPGDMEN1
SCHEMBL6776736 0.84 NAMPT (0.48) MAPTSENP1NAMPTALDH1A1HPGD
SCHEMBL8499797 0.83 NAMPT (0.49) MAPTNAMPTALDH1A1HPGDPPID
SCHEMBL6773780 0.81 NAMPT (0.49) MAPTNAMPTALDH1A1HPGDPPID
SCHEMBL7374343 0.81 NAMPT (0.58) NAMPTKMT2A
SCHEMBL6773783 0.80 NAMPT (0.52) MAPTNAMPTALDH1A1HPGDTHRB

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-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-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