SCHEMBL9053362

SCHEMBL9053362

CN(C)CCN(C(N)=O)C(=O)[C@H](O)[C@H](Cc1ccccc1)N(C)CCN(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UBE2N P61088 1/20 0.40
CHRM1 P11229 1/20 0.40
HPGD P15428 1/20 0.38
LAP3 P28838 2/20 0.36
ANPEP P15144 1/20 0.36
RNPEP Q9H4A4 1/20 0.36
DNPEP Q9ULA0 1/20 0.36
HTT P42858 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
EPHX1 P07099 1/20 0.35
ABCB1 P08183 1/20 0.35
ALPI P09923 1/20 0.35
PKM P14618 1/20 0.35
PTGS1 P23219 1/20 0.35
XIAP P98170 1/20 0.35
SLC7A5 Q01650 1/20 0.35
SIGMAR1 Q99720 2/20 0.35
MMP9 P14780 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
SCHEMBL9058944 0.88 OPRM1 (0.39) UBE2NCHRM1HPGDLAP3ANPEP
SCHEMBL6354283 0.74 UBE2N (0.36) UBE2NCHRM1HPGDOPRD1
Hydrochloric Acid SCHEMBL9052256 0.71 HPGD (0.41) UBE2NHPGDLAP3ANPEPRNPEP
Hydrochloric Acid SCHEMBL9052110 0.68 ABCB1 (0.40) UBE2NCHRM1HPGDLAP3EPHX1
SCHEMBL6249330 0.65 CCR1 (0.50) UBE2NCHRM1HPGDEPHX1ALPI
SCHEMBL6161100 0.65 ALPI (0.51) UBE2NCHRM1HPGDHTTALPI
SCHEMBL3055250 0.65 ABCB1 (0.44) HPGDEPHX1ABCB1ALPIPKM
SCHEMBL3049880 0.65 ABCB1 (0.44) HPGDEPHX1ABCB1ALPIPKM
SCHEMBL3049974 0.65 ABCB1 (0.44) HPGDEPHX1ABCB1ALPIPKM
SCHEMBL5766398 0.65 UBE2N (0.51) UBE2NCHRM1HPGDALPIPKM

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-1996039385-A1 SUBSTITUTED N-(INDOLE-2-CARBONYL-) AMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER INC. (US) 1996-12-12 WO disclosed