SCHEMBL7417838

SCHEMBL7417838

CCOC(=O)C[C@@H](C)NC(=O)N[C@H]1CCN(c2ccc(C(N)=NO)cc2)C1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.57
ITGA2B P08514 7/20 0.57
F2 P00734 1/20 0.40
FPR2 P25090 8/20 0.37
FPR1 P21462 4/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HDAC1 Q13547 3/20 0.34
HDAC8 Q9BY41 3/20 0.34
HDAC6 Q9UBN7 3/20 0.34

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
SCHEMBL7417832 1.00 ITGB3 (0.57) ITGB3ITGA2BF2FPR2FPR1
SCHEMBL8108543 0.89 ITGB3 (0.71) ITGB3ITGA2BF2FPR2FPR1
SCHEMBL8115160 0.89 ITGB3 (0.71) ITGB3ITGA2BF2FPR2FPR1
SCHEMBL7419223 0.88 ITGB3 (0.53) ITGB3ITGA2BF2FPR2FPR1
Acetic Acid SCHEMBL7414160 0.87 ITGB3 (0.68) ITGB3ITGA2BF2FPR2FPR1
SCHEMBL7530926 0.85 ITGB3 (0.51) ITGB3ITGA2BFPR2FPR1HDAC1
SCHEMBL7412598 0.85 ITGB3 (0.51) ITGB3ITGA2BFPR2FPR1HDAC1
SCHEMBL7419456 0.85 ITGB3 (0.51) ITGB3ITGA2BFPR2FPR1HDAC1
SCHEMBL7419451 0.85 ITGB3 (0.51) ITGB3ITGA2BFPR2FPR1HDAC1
SCHEMBL7412595 0.85 ITGB3 (0.51) ITGB3ITGA2BFPR2FPR1HDAC1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0796245-B1 PROCESS FOR THE PREPARATION OF AMIDINO PHENYL PYRROLIDINE BETA-ALANINE UREA ANALOGS SEARLE & CO (US) 2000-07-26 EP disclosed
US-5659063-A AMINE-BLOCKED METHIONINE ANALOG CYCLIZABLE TO A LACTAM IN NONVOLATILE OR NONTOXIC REAGENTS; ANTITHROMBOTIC AGENTS G. D. SEARLE & CO. (US) 1997-08-19 US disclosed
US-5610296-A CHEMICAL INTERMEDIATES OF ANTITHROMBOTICS G. D. SEARLE & CO. (US) 1997-03-11 US disclosed
US-5576447-A Process for the preparation of amidino phenyl pyrrolidine β-alanine urea analogs G. D. SEARLE & CO. (US) 1996-11-19 US disclosed
US-5484946-A CYCLIZATION AND DEHYDRATION A METHIONINE DERIVATIVE G. D. SEARLE & CO. (US) 1996-01-16 US disclosed