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
SCHEMBL12440112 0.72 MEN1 (0.50) MEN1KMT2APSMB5ALDH1A1CYP2C9

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
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