SCHEMBL6136332

SCHEMBL6136332

COC(=O)Cc1ccccc1-c1ccccc1CN

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.46
CFD P00746 1/20 0.45
KDM4E B2RXH2 3/20 0.43
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.41
PDK2 Q15119 1/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
ALDH1A1 P00352 3/20 0.38
GFER P55789 1/20 0.38
MAPT P10636 1/20 0.38
HSD17B10 Q99714 1/20 0.38
POLB P06746 1/20 0.38
KCNA5 P22460 1/20 0.37
LMNA P02545 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
SCHEMBL5842246 0.87 CFD (0.48) CFDKDM4EGAASMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL5842244 0.86 CFD (0.47) CFDKDM4EGAASMN1; SMN2TSHR
SCHEMBL6136439 0.81 KDM4E (0.43) CFDKDM4EGAASMN1; SMN2TSHR
SCHEMBL5099244 0.81 KMT2A (0.47) KDM4EGAATSHRPDK2CYP4F2
SCHEMBL3959092 0.81 ALDH1A1 (0.51) DPP4KDM4ESMN1; SMN2TSHRALDH1A1
SCHEMBL1554320 0.81 KDM4E (0.53) CFDKDM4ESMN1; SMN2TSHRCYP4F2
SCHEMBL7353766 0.81 KMT2A (0.51) DPP4KDM4ECYP4F2CYP4A11LMNA
Hydrogen Sulfide SCHEMBL28029150 0.79 KMT2A (0.50) DPP4KDM4ELMNA
SCHEMBL6287344 0.79 MEN1 (0.45) CFDKDM4EGAASMN1; SMN2TSHR
SCHEMBL1919746 0.78 DPP4 (0.55) DPP4CFDKDM4EMAPT

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-0946499-B1 N-(ARYL/HETEROARYL/ALKYLACETYL) AMINO ACID AMIDES, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS ELAN PHARM INC (US) 2005-06-01 EP disclosed
US-6262302-B1 ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. 2001-07-17 US disclosed
US-6153652-A N-(aryl/heteroaryl/alkylacetyl) amino acid amides, pharmaceutical compositions comprising same, and methods for inhibiting β-amyloid peptide release and/or its synthesis by use of such compounds ELAN PHARMACEUTICALS, INC. (US) 2000-11-28 US disclosed
EP-0946499-A1 N-(ARYL/HETEROARYL/ALKYLACETYL) AMINO ACID AMIDES, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS Athena Neurosciences, Inc. (US) 1999-10-06 EP disclosed
WO-1998022433-A1 N-(ARYL/HETEROARYL/ALKYLACETYL) AMINO ACID AMIDES, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS ELAN PHARMACEUTICALS, INC. (US) 1998-05-28 WO disclosed