SCHEMBL7411896

SCHEMBL7411896

CCOC(=O)C[C@H](NC(=O)N[C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
FPR2 P25090 4/20 0.45
LMNA P02545 1/20 0.44
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
FPR1 P21462 2/20 0.41
CCR5 P51681 2/20 0.40
FNTA P49354 5/20 0.40
FNTB P49356 5/20 0.40
PGGT1B P53609 5/20 0.40
CNR2 P34972 1/20 0.39
EP300 Q09472 1/20 0.35

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
SCHEMBL7412598 0.87 ITGB3 (0.51) ITGB3ITGA2BFPR2HDAC1HDAC8
SCHEMBL7419456 0.87 ITGB3 (0.51) ITGB3ITGA2BFPR2HDAC1HDAC8
SCHEMBL7419451 0.87 ITGB3 (0.51) ITGB3ITGA2BFPR2HDAC1HDAC8
SCHEMBL7412595 0.87 ITGB3 (0.51) ITGB3ITGA2BFPR2HDAC1HDAC8
SCHEMBL7419223 0.86 ITGB3 (0.53) ITGB3ITGA2BFPR2LMNAHDAC1
Acetic Acid SCHEMBL7415684 0.84 ITGB3 (0.64) ITGB3ITGA2BFPR2LMNAFPR1
SCHEMBL7415603 0.79 ITGB3 (0.72) ITGB3ITGA2BFPR2HDAC1HDAC8
SCHEMBL7420718 0.79 ITGB3 (0.72) ITGB3ITGA2BFPR2HDAC1HDAC8
SCHEMBL8996391 0.78 HDAC1 (0.49) ITGB3ITGA2BFPR2HDAC1HDAC8
SCHEMBL27368967 0.78 ITGB3 (0.65) ITGB3ITGA2BFPR2HDAC1HDAC8

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
WO-1996017827-A1 PROCESS FOR THE PREPARATION OF AMIDINO PHENYL PYRROLIDINE β-ALANINE UREA ANALOGS G.D. SEARLE & CO. (US) 1996-06-13 WO disclosed
US-5484946-A CYCLIZATION AND DEHYDRATION A METHIONINE DERIVATIVE G. D. SEARLE & CO. (US) 1996-01-16 US disclosed