SCHEMBL18633865

SCHEMBL18633865

CC(C)(C)OC(=O)N(CC=O)Cc1ccc(C#N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 3/20 0.43
NSD2 O96028 2/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
GPR119 Q8TDV5 3/20 0.39
CHRM2 P08172 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 1/20 0.38
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 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
SCHEMBL30577123 0.83 SSTR4 (0.47) SNCANSD2HDAC3HDAC1HDAC2
SCHEMBL4662657 0.83 HDAC3 (0.46) SNCANSD2HDAC3HDAC1HDAC2
SCHEMBL407573 0.83 ABCB1 (0.44) SNCANSD2HDAC3HDAC1HDAC2
SCHEMBL2260872 0.83 HDAC3 (0.43) HDAC3HDAC1HDAC2NCOR2
SCHEMBL2722481 0.82 HDAC3 (0.53) HDAC3HDAC1HDAC2NCOR2CTSL
SCHEMBL25391164 0.82 NSD2 (0.45) SNCANSD2HDAC3HDAC1HDAC2
SCHEMBL2586342 0.82 SLC6A2 (0.44) SNCANSD2HDAC3HDAC1HDAC2
SCHEMBL30954944 0.82 TSHR (0.45) SNCAHDAC3HDAC1HDAC2NCOR2
SCHEMBL1852981 0.81 HDAC3 (0.45) SNCANSD2HDAC3HDAC1HDAC2
SCHEMBL14125767 0.81 CTSS (0.45) SNCANSD2HDAC3HDAC1HDAC2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2713722-B1 NOVEL GLP-1 RECEPTOR STABILIZERS AND MODULATORS RECEPTOS LLC (US) 2017-03-15 EP disclosed