SCHEMBL20107211

SCHEMBL20107211

C=CNC(=O)CNC(=O)CC

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PSMB5 P28074 1/20 0.40
TSHR P16473 3/20 0.36
ALDH1A1 P00352 3/20 0.36
FAAH O00519 2/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.31
ZDHHC2 Q9UIJ5 1/20 0.31
CYP2C9 P11712 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL110302 0.84
SCHEMBL13973851 0.80 MAPK1 (0.36) TSHRALDH1A1SMN1; SMN2MAPTMAPK1
SCHEMBL20107210 0.77 TSHR (0.52) MEN1KMT2APSMB5TSHRALDH1A1
SCHEMBL12838007 0.76 MEN1 (0.44) MEN1KMT2APSMB5ALDH1A1CYP2C9
Acetamide SCHEMBL2554283 0.76 ALDH1A1 (0.37) MEN1KMT2ATSHRALDH1A1CYP2C9
SCHEMBL20107159 0.75 MEN1 (0.40) MEN1KMT2APSMB5
SCHEMBL19062814 0.75
SCHEMBL13291442 0.75
SCHEMBL9471990 0.72 ALDH1A1 (0.34) MEN1KMT2ATSHRALDH1A1TDP1
SCHEMBL20960533 0.72 KMT2A (0.50) MEN1KMT2APSMB5ALDH1A1FAAH

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-2018081367-A1 CYCLIC PEPTIDE TYROSINE TYROSINE COMPOUNDS AS MODULATORS OF NEUROPEPTIDE Y RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-03 WO disclosed