SCHEMBL20344637

SCHEMBL20344637

CCCN(C)c1ccccc1N(C)C=O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.35
▸ HCAR3 P49019 2/20 0.34
▸ ALDH3A1 P30838 2/20 0.33
▸ ALDH1A3 P47895 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ DRD3 P35462 2/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ DAO P14920 1/20 0.32
▸ ESR1 P03372 4/20 0.31
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ CSNK1D P48730 1/20 0.30
▸ MAPK11 Q15759 1/20 0.30
▸ MAPK14 Q16539 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
SCHEMBL19980302 0.74 TSHR (0.37) TP53HCAR3ALDH3A1ALDH1A3ALDH1A1
SCHEMBL24405524 0.73 SIGMAR1 (0.36) TP53ALDH1A1SIGMAR1LMNAMAPT
SCHEMBL2090253 0.72 C1R (0.37) TP53ALDH1A1MAPT
SCHEMBL2697490 0.72 MAPT (0.33) TP53ALDH1A1SIGMAR1LMNAMAPT
SCHEMBL5421931 0.72 TP53 (0.45) TP53HCAR3ALDH1A1SIGMAR1ESR1
SCHEMBL21765851 0.71 ALDH1A1 (0.35) TP53ALDH1A1DRD3LMNAMAPT
SCHEMBL19980344 0.71 NPY2R (0.40) —
SCHEMBL24405809 0.71 ALDH1A1 (0.49) ALDH1A1LMNAMAPT
SCHEMBL24405832 0.71 OPRM1 (0.39) ALDH1A1LMNA
SCHEMBL22738465 0.71 DRD3 (0.37) TP53HCAR3DRD3SIGMAR1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022198196-A1 INHIBITORS OF GLYCOGEN SYNTHASE 1 (GYS1) AND METHODS OF USE THEREOF MAZE THERAPEUTICS, INC. (US) 2022-09-22 — — WO disclosed
EP-3342771-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-11-25 — — EP disclosed
EP-3508484-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-07-10 — — EP disclosed
EP-3342771-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GlaxoSmithKline Intellectual Property Development Ltd (GB) 2018-07-04 — — EP disclosed
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