SCHEMBL990020

SCHEMBL990020

Oc1cccc(N(CCc2ccccc2)C2CCNCC2)c1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.61
SLC6A4 P31645 5/20 0.61
SLC6A3 Q01959 5/20 0.61
OPRK1 P41145 14/20 0.53
OPRM1 P35372 13/20 0.53
OPRD1 P41143 10/20 0.53
DRD2 P14416 3/20 0.49
DRD3 P35462 3/20 0.49
CACNA1B Q00975 1/20 0.42

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
SCHEMBL989955 0.85 SLC6A2 (0.61) SLC6A2SLC6A4SLC6A3OPRK1OPRM1
SCHEMBL10108883 0.76 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3CACNA1B
SCHEMBL312487 0.76 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3
SCHEMBL4309799 0.74 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3DRD2CACNA1B
SCHEMBL18475969 0.73 NOS2 (0.47) SLC6A2SLC6A4SLC6A3OPRK1OPRM1
SCHEMBL16757238 0.73 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3OPRK1OPRM1
Hydrochloric Acid SCHEMBL22797780 0.72 NOS2 (0.46) SLC6A2SLC6A4SLC6A3OPRK1OPRM1
SCHEMBL11692158 0.71 OPRM1 (0.51) SLC6A2SLC6A4SLC6A3OPRK1OPRM1
SCHEMBL16757437 0.71 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3OPRK1OPRM1
SCHEMBL3581153 0.70 GRIN2B (0.56) SLC6A2SLC6A4SLC6A3OPRK1OPRM1

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-2776046-A1 COMPOSITIONS, DOSAGE FORMS, AND COADMINISTRATION OF AN OPIOID AGONIST COMPOUND AND AN ANALGESIC COMPOUND Nektar Therapeutics (US) 2014-09-17 EP disclosed
CN-103906522-A Compositions, dosage forms, and coadministration of opioid agonist compound and analgesic compound NEKTAR THERAPEUTICS 2014-07-02 CN disclosed
WO-2013070617-A1 COMPOSITIONS, DOSAGE FORMS, AND COADMINISTRATION OF AN OPIOID AGONIST COMPOUND AND AN ANALGESIC COMPOUND NEKTAR THERAPEUTICS (US) 2013-05-16 WO disclosed
EP-2456469-A1 OLIGOMER-OPIOID AGONIST CONJUGATES Nektar Therapeutics (US) 2012-05-30 EP disclosed
WO-2011011543-A1 OLIGOMER-OPIOID AGONIST CONJUGATES NEKTAR THERAPEUTICS (US) 2011-01-27 WO disclosed