SCHEMBL7349404

SCHEMBL7349404

C#C[C@@H](CC(=O)OCC)NC(=O)CNC(=O)c1cccc(NC(=N)N)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.56
ITGA2B P08514 3/20 0.56
ALDH1A1 P00352 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
F2 P00734 2/20 0.39
F7 P08709 1/20 0.39
GPR139 Q6DWJ6 3/20 0.38
F10 P00742 3/20 0.38
PRSS1 P07477 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GAA P10253 1/20 0.37
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
PLAU P00749 1/20 0.37

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
SCHEMBL7341927 1.00 ITGB3 (0.56) ITGB3ITGA2BALDH1A1NPSR1KMT2A
SCHEMBL7349391 1.00 ITGB3 (0.56) ITGB3ITGA2BALDH1A1NPSR1KMT2A
SCHEMBL7342954 0.93 ITGB3 (0.53) ITGB3ITGA2BALDH1A1NPSR1KMT2A
SCHEMBL7343777 0.89 ITGB3 (0.49) ITGB3ITGA2BALDH1A1NPSR1KMT2A
SCHEMBL7343127 0.87 ITGB3 (0.48) ITGB3ITGA2BALDH1A1NPSR1KMT2A
SCHEMBL7343120 0.87 ITGB3 (0.48) ITGB3ITGA2BALDH1A1NPSR1KMT2A
SCHEMBL6773935 0.87 ITGB3 (0.52) ITGB3ITGA2BKMT2AMEN1GPR139
SCHEMBL6777472 0.87 ITGB3 (0.52) ITGB3ITGA2BKMT2AMEN1GPR139
SCHEMBL6773940 0.87 ITGB3 (0.52) ITGB3ITGA2BKMT2AMEN1GPR139
SCHEMBL6783814 0.87 ITGB3 (0.42) ITGB3ITGA2BALDH1A1KMT2AMEN1

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 3 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