SCHEMBL8526980

SCHEMBL8526980

CCN(CC)C(=O)c1ccc(C(Cl)c2ccc(C(=O)N(CC)CC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPT P10636 1/20 0.56
MLYCD O95822 1/20 0.54
OPRD1 P41143 9/20 0.52
HSP90AA1 P07900 1/20 0.51
HSP90AB1 P08238 1/20 0.51
OPRM1 P35372 4/20 0.51
OPRK1 P41145 1/20 0.50
RAB9A P51151 1/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL6796608 0.93 OPRD1 (0.60) HPGDALDH1A1MAPTMLYCDOPRD1
SCHEMBL4576597 0.93 ALDH1A1 (0.63) HPGDALDH1A1MAPTOPRD1OPRM1
SCHEMBL6795500 0.88 HPGD (0.52) HPGDALDH1A1MAPTMLYCDOPRD1
SCHEMBL5703500 0.84 HPGD (0.73) HPGDALDH1A1MAPTMLYCDHSP90AA1
SCHEMBL4472102 0.83 HSP90AA1 (0.58) HPGDALDH1A1MAPTMLYCDOPRD1
SCHEMBL8527824 0.83 HPGD (0.58) HPGDALDH1A1MAPTMLYCDOPRD1
SCHEMBL1986972 0.82 OPRD1 (0.62) OPRD1OPRM1
SCHEMBL18713522 0.81 HPGD (0.56) HPGDALDH1A1MAPTMLYCDOPRD1
SCHEMBL6797369 0.81 OPRD1 (0.60) HPGDALDH1A1MAPTOPRD1OPRM1
SCHEMBL1934353 0.80 OPRD1 (0.53) HPGDALDH1A1MAPTMLYCDOPRD1

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-0873322-A1 NOVEL COMPOUNDS WITH ANALGESIC EFFECT Astra Pharma Inc. (CA) 1998-10-28 EP disclosed
WO-1997023467-A1 NOVEL COMPOUNDS WITH ANALGESIC EFFECT ASTRA PHARMA INC. (CA) 1997-07-03 WO disclosed