SCHEMBL6936409

SCHEMBL6936409

CCN(CC)C(=O)c1ccc(C(O)c2cccc(N)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 12/20 0.52
OPRM1 P35372 4/20 0.52
HPGD P15428 3/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
OPRK1 P41145 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL14528041 0.88 OPRD1 (0.51) OPRD1OPRM1HPGDALDH1A1MAPT
SCHEMBL3107154 0.86 OPRD1 (0.51) OPRD1OPRM1HPGDALDH1A1MAPT
SCHEMBL4576604 0.85 ALDH1A1 (0.65) OPRD1OPRM1HPGDALDH1A1MAPT
SCHEMBL8527824 0.85 HPGD (0.58) OPRD1OPRM1HPGDALDH1A1MAPT
SCHEMBL4830938 0.85 HPGD (0.54) OPRD1OPRM1HPGDALDH1A1MAPT
SCHEMBL13620473 0.85 OPRD1 (0.48) OPRD1OPRM1HPGDALDH1A1MAPT
SCHEMBL1989199 0.83 OPRD1 (0.63) OPRD1OPRM1
SCHEMBL10313331 0.83 OPRD1 (0.46) OPRD1OPRM1HPGDALDH1A1MAPT
SCHEMBL14108185 0.82 OPRD1 (0.48) OPRD1OPRM1HPGDALDH1A1MAPT
SCHEMBL71266 0.81 OPRD1 (0.54) OPRD1OPRM1HPGDALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0649414-B1 OPIOID DIARYLMETHYLPIPERAZINES AND PIPERIDINES ARDENT PHARMACEUTICALS INC (US) 2003-04-16 EP disclosed
US-5854249-A Opioid diarylmethylpiperazines and piperidines DELTA PHARMACEUTICALS, INC. (US) 1998-12-29 US disclosed
US-5658908-A RECEPTOR BINDING SPECIES FOR MEDIATING ANALGESIA, COMBATTING DRUG ADDICTION, DRUG OVERDOSE DELTA PHARMACEUTICALS, INC. (US) 1997-08-19 US disclosed
EP-0649414-A1 OPIOID DIARYLMETHYLPIPERAZINES AND PIPERIDINES THE WELLCOME FOUNDATION LIMITED (GB) 1995-04-26 EP disclosed
WO-1993015062-A1 OPIOID DIARYLMETHYLPIPERAZINES AND PIPERIDINES THE WELLCOME FOUNDATION LIMITED (GB) 1993-08-05 WO disclosed