SCHEMBL21765692

SCHEMBL21765692

CC(=O)N1Cc2cc3c(cc2C1)CN(C)C3

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.57
CYP1A2 P05177 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HRH3 Q9Y5N1 1/20 0.37
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
SLC6A4 P31645 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
NAMPT P43490 1/20 0.33
ABHD6 Q9BV23 1/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL12706078 0.78 MAOA (0.44) MAOAMAOBSLC6A4
SCHEMBL21765697 0.78 NOTUM (0.52) NOTUMCYP1A2TDP1HRH3NAMPT
SCHEMBL16284216 0.75 ABHD6 (0.55) NOTUMHRH3MAOAMAOBSLC6A4
SCHEMBL9601675 0.74 NOTUM (0.52) NOTUMTDP1HRH3ABHD6MEN1
SCHEMBL16284191 0.74 NOTUM (0.52) NOTUMCYP1A2TDP1MEN1KMT2A
SCHEMBL16284189 0.74 NOTUM (0.52) NOTUMCYP1A2
SCHEMBL10150901 0.74 NOTUM (0.62) NOTUMHDAC8HDAC6NAMPTDPP4
SCHEMBL14067114 0.74 NOTUM (0.62) NOTUMMAOBHDAC8HDAC6ABHD6
SCHEMBL1197829 0.73 NOTUM (1.00) NOTUMHRH3HDAC8NAMPTDPP4
SCHEMBL16101941 0.72 NOTUM (0.60) NOTUMHDAC8HDAC6NAMPTABHD6

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
WO-2020041270-A1 COLLECTIONS OF PEPTIDES, PEPTIDE AGENTS, AND METHODS OF USE THEREOF FOG PHARMACEUTICALS, INC. (US) 2020-02-27 WO disclosed