SCHEMBL9544807

SCHEMBL9544807

COC(=O)CNC[C@H]1Cc2ccccc2N1C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.42
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 1/20 0.39
NOTUM Q6P988 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
ALOX5AP P20292 1/20 0.37
PKM P14618 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
BCHE P06276 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL9542593 0.86 NOTUM (0.43) NAMPTALDH1A1NOTUMALOX5APPKM
SCHEMBL9543218 0.83 CYP1A2 (0.44) NAMPTALDH1A1NOTUMALOX5APBCHE
SCHEMBL31159075 0.82 MTNR1A (0.51) NAMPTNOTUMPKMKDM4E
SCHEMBL14559364 0.82 MTNR1A (0.51) NAMPTNOTUMPKMKDM4E
SCHEMBL13222793 0.81 ALDH1A1 (0.43) ALDH1A1NOTUMNPSR1KDM4ELMNA
SCHEMBL31058852 0.81 OPRD1 (0.41) NAMPTALDH1A1KMT2ANOTUMALOX5AP
SCHEMBL30681300 0.81 AKT1 (0.45) NAMPTALDH1A1NOTUMALOX5APBCHE
SCHEMBL30681234 0.81 AKT1 (0.45) NAMPTALDH1A1NOTUMALOX5APBCHE
SCHEMBL5332810 0.81 AKT1 (0.45) NAMPTALDH1A1NOTUMALOX5APBCHE
SCHEMBL5332801 0.81 AKT1 (0.45) NAMPTALDH1A1NOTUMALOX5APBCHE

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-1993020099-A2 CCK AND/OR GASTRIN RECEPTOR LIGANDS FERRING B.V. (NL) 1993-10-14 WO disclosed