SCHEMBL9058944

SCHEMBL9058944

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 2/20 0.39
HPGD P15428 1/20 0.38
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
LAP3 P28838 2/20 0.36
ANPEP P15144 1/20 0.36
RNPEP Q9H4A4 1/20 0.36
DNPEP Q9ULA0 1/20 0.36
EPHX1 P07099 1/20 0.35

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
SCHEMBL9053362 0.88 UBE2N (0.40) OPRM1OPRD1OPRK1HPGDLAP3
SCHEMBL6052953 0.71 HDAC3 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL9052256 0.71 HPGD (0.41) HPGDLAP3ANPEPRNPEPDNPEP
SCHEMBL4345270 0.70 SIGMAR1 (0.47) OPRM1OPRD1OPRK1HPGDUBE2N
SCHEMBL27544524 0.69 NR4A2 (0.49) OPRM1OPRD1OPRK1HPGDUBE2N
Hydrochloric Acid SCHEMBL9052110 0.68 ABCB1 (0.40) HPGDLAP3EPHX1UBE2NABCB1
SCHEMBL5501136 0.66 OPRK1 (0.44) OPRM1OPRD1OPRK1HPGDUBE2N
SCHEMBL3055250 0.65 ABCB1 (0.44) HPGDEPHX1ABCB1ALPIPKM
SCHEMBL3049880 0.65 ABCB1 (0.44) HPGDEPHX1ABCB1ALPIPKM
SCHEMBL3049974 0.65 ABCB1 (0.44) HPGDEPHX1ABCB1ALPIPKM

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