SCHEMBL2863308

SCHEMBL2863308

CC(c1ccccc1)N(CCC(=O)OC(C)(C)C)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.41
RIPK1 Q13546 2/20 0.39
MTOR P42345 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CTSL P07711 2/20 0.38
CTSB P07858 2/20 0.38
CTSS P25774 2/20 0.38
OPRD1 P41143 1/20 0.38
CASR P41180 1/20 0.38
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL13109078 0.83 AKT1 (0.37) AKT1RIPK1MEN1KMT2AHTT
SCHEMBL27567127 0.82 MEN1 (0.47) MTORMEN1KMT2AOPRD1
SCHEMBL19538211 0.82 MEN1 (0.47) MTORMEN1KMT2AOPRD1
SCHEMBL8475218 0.80 AKT1 (0.41) AKT1MEN1KMT2AHTTL3MBTL1
SCHEMBL8477589 0.80 AKT1 (0.41) AKT1MEN1KMT2AHTTL3MBTL1
SCHEMBL801661 0.79 AKT1 (0.51) AKT1RIPK1MEN1KMT2AHTT
SCHEMBL8476974 0.79 AKT1 (0.43) AKT1RIPK1MEN1KMT2AHTT
SCHEMBL29283791 0.78 AKT1 (0.42) AKT1RIPK1MEN1KMT2AHTT
SCHEMBL5384551 0.77 AKT1 (0.44) AKT1RIPK1MEN1KMT2AHTT
SCHEMBL10041841 0.77 AKT1 (0.41) AKT1RIPK1MEN1KMT2ACTSL

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-1077994-B1 IMIDAZOLIDINE DERIVATIVES, THE PRODUCTION THEREOF, THEIR USE AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME SANOFI AVENTIS DEUTSCHLAND (DE) 2010-01-20 EP disclosed
EP-1373249-A1 IMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION, AND THEIR USE AS ANTINFLAMATORY AGENT Aventis Pharma Deutschland GmbH (DE) 2004-01-02 EP disclosed
EP-0918059-B1 Substituted imidazoline derivatives, their preparation, their use, and pharmaceutical compositions containing them AVENTIS PHARMA GMBH (DE) 2003-06-25 EP disclosed
WO-2002072573-A1 IMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION, AND THEIR USE AS ANTINFLAMATORY AGENT. AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-09-19 WO disclosed
EP-1077994-A1 IMIDAZOLIDINE DERIVATIVES, THE PRODUCTION THEREOF, THEIR USE AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME Aventis Pharma Deutschland GmbH (DE) 2001-02-28 EP disclosed
WO-1999060015-A1 IMIDAZOLIDINE DERIVATIVES, THE PRODUCTION THEREOF, THEIR USE AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 1999-11-25 WO disclosed
EP-0918059-A1 Substituted imidazoline derivatives, their preparation, their use, and pharmaceutical compositions containing them Hoechst Marion Roussel Deutschland GmbH (DE) 1999-05-26 EP disclosed