Acetamide

Acetamide

SCHEMBL15323969

CC(COC(=O)[C@@H](N)CCCNC(=N)N)OC(CC(=O)[O-])C[N+](C)(C)C.CC(N)=O

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ CYP2C19 P33261 2/20 0.34
▸ RECQL P46063 1/20 0.34
▸ SLC25A20 O43772 3/20 0.33
▸ TP53 P04637 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ CPT2 P23786 2/20 0.33
▸ CPT1A P50416 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ THPO P40225 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ HSD17B10 Q99714 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
SCHEMBL15549471 0.83 MEN1 (0.48) MEN1KMT2ACYP1A2HRH1CYP2C19
Acetylcarnitine SCHEMBL948558 0.77 MEN1 (0.56) MEN1KMT2ACYP1A2HRH1CYP2C19
Acetylcarnitine SCHEMBL27934793 0.76 MEN1 (0.55) MEN1KMT2ACYP1A2HRH1CYP2C19
Acetylcarnitine SCHEMBL620955 0.76 MEN1 (0.55) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL17459883 0.76 NPY4R (0.42) NPY4RNPY1R
SCHEMBL17459884 0.76 NPY4R (0.42) NPY4RNPY1R
Hydrochloric Acid SCHEMBL27777299 0.73 LMNA (0.44) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL1406051 0.73 NPY4R (0.39) MAPTNPY4RNPY1R
Carnitine SCHEMBL1462464 0.72 SLC22A16 (0.43) MEN1KMT2ACYP1A2HRH1CYP2C19
Arginine SCHEMBL15323966 0.72 SLC22A16 (0.43) MEN1KMT2ACYP1A2CYP2C19TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2836833-A1 PRENATAL SCREENING FOR DOWN SYNDROME AND TRISOMY 18 Wayne State University (US) 2015-02-18 — — EP disclosed
WO-2013155456-A1 PRENATAL SCREENING FOR DOWN SYNDROME AND TRISOMY 18 WAYNE STATE UNIVERSITY (US) 2013-10-17 — — WO disclosed
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