SCHEMBL6935489

SCHEMBL6935489

C[C@@H]1CN([C@H](c2ccccc2)c2cccc(O[Si](C)(C)C(C)(C)C)c2)[C@@H](C)CN1CC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 3/20 0.51
SLC6A9 P48067 4/20 0.49
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 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
SCHEMBL7967521 0.84 OPRD1 (0.59) OPRD1
SCHEMBL6935570 0.83 OPRD1 (0.77) OPRD1CYP1A2CYP3A4
SCHEMBL6935746 0.83 OPRD1 (0.77) OPRD1CYP1A2CYP3A4
SCHEMBL4576058 0.83 OPRD1 (0.77) OPRD1CYP1A2CYP3A4
SCHEMBL9541531 0.83 OPRD1 (0.77) OPRD1CYP1A2CYP3A4
SCHEMBL7971321 0.83 OPRD1 (0.50) OPRD1
SCHEMBL7958113 0.82 OPRD1 (0.49) OPRD1
SCHEMBL2750830 0.82 OPRD1 (0.68) OPRD1CYP1A2CYP3A4
SCHEMBL2751381 0.82 OPRD1 (0.68) OPRD1CYP1A2CYP3A4
SCHEMBL7967433 0.81 OPRD1 (0.51) OPRD1

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 4 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
WO-1993015062-A1 OPIOID DIARYLMETHYLPIPERAZINES AND PIPERIDINES THE WELLCOME FOUNDATION LIMITED (GB) 1993-08-05 WO disclosed