SCHEMBL7414726

SCHEMBL7414726

CC(C)(C)OC(=O)N[C@H]1CCN(c2ccccc2)C1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.54
FPR1 P21462 1/20 0.54
HDAC8 Q9BY41 3/20 0.49
HDAC6 Q9UBN7 3/20 0.49
HDAC1 Q13547 1/20 0.49
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
GPR119 Q8TDV5 1/20 0.44
KDM1A O60341 1/20 0.44
MAOB P27338 1/20 0.44
KCNA3 P22001 1/20 0.43
CTSL P07711 1/20 0.43
CKS1B P61024 1/20 0.43
SKP1 P63208 1/20 0.43
SKP2 Q13309 1/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL7933692 1.00 FPR2 (0.54) FPR2FPR1HDAC8HDAC6HDAC1
SCHEMBL7414725 1.00 FPR2 (0.54) FPR2FPR1HDAC8HDAC6HDAC1
Hydrochloric Acid SCHEMBL7939389 0.99 FPR2 (0.53) FPR2FPR1HDAC8HDAC6HDAC1
SCHEMBL5021029 0.93 FPR2 (0.49) FPR2FPR1KMT2AL3MBTL1
SCHEMBL6817997 0.93 FPR2 (0.49) FPR2FPR1KMT2AL3MBTL1
SCHEMBL5566073 0.89 MMP1 (0.44) FPR2FPR1HDAC8HDAC6HDAC1
SCHEMBL5566079 0.89 MMP1 (0.44) FPR2FPR1HDAC8HDAC6HDAC1
SCHEMBL8297509 0.88 FPR2 (0.42) FPR2FPR1HDAC8HDAC6HDAC1
SCHEMBL16493351 0.88 FPR2 (0.56) FPR2FPR1HDAC8HDAC6HDAC1
SCHEMBL5569337 0.86 MMP1 (0.54) KMT2AL3MBTL1

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 7 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
EP-0796245-A1 PROCESS FOR THE PREPARATION OF AMIDINO PHENYL PYRROLIDINE $g(b)-ALANINE UREA ANALOGS G.D. SEARLE & CO. (US) 1997-09-24 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
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