SCHEMBL4696796

SCHEMBL4696796

COCc1cc(C#N)cc(CO)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.41
EGLN2 Q96KS0 2/20 0.39
ACHE P22303 1/20 0.35
TTR P02766 1/20 0.35
ALB P02768 1/20 0.35
APP P05067 3/20 0.33
MRGPRX4 Q96LA9 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
BACE1 P56817 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
FFAR1 O14842 1/20 0.33
AR P10275 1/20 0.32
GPR35 Q9HC97 1/20 0.32

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
SCHEMBL4694668 0.90 GRM5 (0.46) GRM5EGLN2TTRALBAPP
SCHEMBL20698865 0.86 GRM5 (0.46) GRM5EGLN2TTRALBAPP
SCHEMBL25857951 0.85 GRM5 (0.41) GRM5EGLN2TTRALBAPP
SCHEMBL4693793 0.84 GRM5 (0.42) GRM5EGLN2ACHETTRALB
SCHEMBL14949281 0.84 ACHE (0.48) ACHEAPPKDM4EMAPTALDH1A1
SCHEMBL2160632 0.80 GRM5 (0.42) GRM5EGLN2ACHETTRALB
SCHEMBL16952693 0.79 CYP2A6 (0.48) GRM5EGLN2ACHETTRALB
SCHEMBL23734489 0.78 ACHE (0.61) ACHEAPPMAPTALDH1A1
SCHEMBL14949268 0.78 ACHE (0.42) ACHEMAPTALDH1A1
SCHEMBL9948037 0.78 GRM5 (0.41) GRM5EGLN2TTRALBAPP

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-1463501-B1 CIS-IMIDAZOLINES AS MDM2 INHIBITORS HOFFMANN LA ROCHE (CH) 2008-06-11 EP disclosed
EP-1463501-A1 CIS-IMIDAZOLINES AS MDM2 INHIBITORS F. Hoffmann-La Roche AG (CH) 2004-10-06 EP disclosed
US-6617346-B1 Inhibit the interaction of MDM2 protein with a p53-like peptide and have antiproliferative activity HOFFMANN-LA ROCHE INC. 2003-09-09 US disclosed
WO-2003051360-A1 CIS-IMIDAZOLINES AS MDM2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-06-26 WO disclosed