SCHEMBL29414586

SCHEMBL29414586

C=CCNC(=O)CNC(=O)[C@@H](N)CC(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.42
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.41
OPRD1 P41143 2/20 0.39
SLC7A5 Q01650 1/20 0.39
FAAH O00519 1/20 0.38
ALPL P05186 1/20 0.37
ANPEP P15144 2/20 0.37
RNPEP Q9H4A4 2/20 0.37
DNPEP Q9ULA0 1/20 0.37
AAK1 Q2M2I8 1/20 0.37
ALDH1A1 P00352 2/20 0.36
LARS1 Q9P2J5 1/20 0.35
MMP2 P08253 1/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
Hydrochloric Acid SCHEMBL1277927 0.87 ATM (0.46) ATMTSHRSMN1; SMN2MAPTSLC7A5
SCHEMBL11291916 0.79 ALDH1A1 (0.47) MAPTOPRD1SLC7A5ANPEPRNPEP
SCHEMBL10659991 0.79 SLC7A5 (0.42) OPRD1SLC7A5ANPEPRNPEPDNPEP
SCHEMBL1036014 0.79 ALDH1A1 (0.47) MAPTOPRD1SLC7A5ANPEPRNPEP
SCHEMBL29006326 0.79 ALDH1A1 (0.47) MAPTOPRD1SLC7A5ANPEPRNPEP
SCHEMBL2322417 0.79 ALDH1A1 (0.47) MAPTOPRD1SLC7A5ANPEPRNPEP
SCHEMBL11291910 0.79 ALDH1A1 (0.47) MAPTOPRD1SLC7A5ANPEPRNPEP
SCHEMBL8079490 0.78 ANPEP (0.42) OPRD1SLC7A5ANPEPRNPEPDNPEP
Hydrochloric Acid SCHEMBL10664913 0.78 SLC7A5 (0.41) OPRD1SLC7A5ANPEPRNPEPDNPEP
Bromide SCHEMBL7287179 0.76 ANPEP (0.57) SLC7A5ANPEPRNPEPDNPEPLARS1

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-2022045637-A1 ANTITUMOR BACTERIAL STRAIN, AND COMPOSITION AND METHOD USING SAME 주식회사 리비옴 2022-03-03 WO disclosed