SCHEMBL7345100

SCHEMBL7345100

CCOC(=O)CC(NC(=O)CNC(=O)c1cccc(NC(=N)N)c1)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.43
GPR139 Q6DWJ6 6/20 0.41
F2 P00734 2/20 0.41
F7 P08709 2/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 2/20 0.39
TSHR P16473 1/20 0.39
ATM Q13315 1/20 0.39
MAPT P10636 1/20 0.39
ITGB3 P05106 1/20 0.38
ITGA2B P08514 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
SCHEMBL7836166 0.88 NPSR1 (0.41) NPSR1GPR139F2F7KMT2A
SCHEMBL6783208 0.87 ITGB3 (0.46) GPR139F2F7KMT2AMEN1
SCHEMBL7349391 0.85 ITGB3 (0.56) NPSR1GPR139F2F7KMT2A
SCHEMBL7341927 0.85 ITGB3 (0.56) NPSR1GPR139F2F7KMT2A
SCHEMBL7343772 0.85 HTT (0.41) NPSR1GPR139F2F7KMT2A
SCHEMBL3839471 0.85 GPR139 (0.47) GPR139F2KMT2AMEN1ATM
SCHEMBL7349404 0.85 ITGB3 (0.56) NPSR1GPR139F2F7KMT2A
SCHEMBL7345743 0.85 GPR139 (0.41) GPR139KMT2AMEN1ATMITGB3
SCHEMBL7341726 0.84 GPR139 (0.42) NPSR1GPR139F2F7KMT2A
SCHEMBL7340341 0.83 F7 (0.41) NPSR1GPR139F2F7KMT2A

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
CN-1201454-A Meta-guanidino, ureido, thioureido or azacyclic aminobenzoic acid derivatives as integrin antagonists SEARLE & CO (US) 1998-12-09 CN 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