SCHEMBL6892426

SCHEMBL6892426

CCN(CC)C(=O)c1ccc(C(O)c2cccc3ccccc23)cc1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 12/20 0.61
OPRM1 P35372 6/20 0.61
OPRK1 P41145 4/20 0.61
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
MAPT P10636 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL6797369 0.85 OPRD1 (0.60) OPRD1OPRM1OPRK1ALDH1A1HPGD
SCHEMBL4678352 0.81 OPRD1 (0.65) OPRD1OPRM1OPRK1ALDH1A1HPGD
SCHEMBL6248099 0.81 CYP1A2 (0.51) OPRD1OPRM1OPRK1ALDH1A1HPGD
SCHEMBL4576604 0.81 ALDH1A1 (0.65) OPRD1OPRM1OPRK1ALDH1A1HPGD
SCHEMBL8527824 0.81 HPGD (0.58) OPRD1OPRM1OPRK1ALDH1A1HPGD
SCHEMBL6795823 0.77 OPRD1 (1.00) OPRD1OPRM1OPRK1
SCHEMBL27472898 0.77 OPRD1 (0.74) OPRD1OPRM1OPRK1
Acetic Acid SCHEMBL28094249 0.76 ALDH1A1 (0.53) ALDH1A1HPGDMAPT
SCHEMBL6973873 0.75 ALDH1A1 (0.51) OPRD1OPRM1OPRK1ALDH1A1HPGD
SCHEMBL2152243 0.75 KMT2A (0.45) ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1408037-A1 Novel diarylmethylpiperazine and diarylmethylphenyl compounds with analgesic effect AstraZeneca AB (SE) 2004-04-14 EP disclosed
US-6130222-A Compounds with analgesic effect ASTRA PHARMA INC. (CA) 2000-10-10 US disclosed
EP-0915855-A1 NOVEL COMPOUNDS WITH ANALGESIC EFFECT Astra Pharma Inc. (CA) 1999-05-19 EP disclosed