SCHEMBL989955

SCHEMBL989955

Oc1ccc(N(CCc2ccccc2)C2CCNCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.61
SLC6A4 P31645 6/20 0.61
SLC6A3 Q01959 5/20 0.61
CACNA1B Q00975 1/20 0.50
OPRM1 P35372 6/20 0.49
OPRK1 P41145 6/20 0.49
OPRD1 P41143 4/20 0.49
TACR1 P25103 1/20 0.45
GBA1 P04062 1/20 0.41
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
NOS2 P35228 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL990020 0.85 SLC6A2 (0.61) SLC6A2SLC6A4SLC6A3CACNA1BOPRM1
SCHEMBL312487 0.76 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3
SCHEMBL10108883 0.76 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3CACNA1BTACR1
SCHEMBL18475969 0.76 NOS2 (0.47) SLC6A2SLC6A4SLC6A3CACNA1BOPRM1
SCHEMBL16757238 0.76 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3OPRM1OPRK1
Hydrochloric Acid SCHEMBL22797780 0.75 NOS2 (0.46) SLC6A2SLC6A4SLC6A3CACNA1BOPRM1
SCHEMBL11692158 0.74 OPRM1 (0.51) SLC6A2SLC6A4SLC6A3OPRM1OPRK1
SCHEMBL4309799 0.74 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3CACNA1BGBA1
SCHEMBL28263500 0.74 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3OPRM1OPRK1
SCHEMBL12232428 0.74 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3CACNA1BOPRM1

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