SCHEMBL16714458

SCHEMBL16714458

O=C1NCN(c2ccccc2)C12CCN([C@H]1CCCC[C@@]1(O)c1ccccc1)CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 20/20 1.00
OPRM1 P35372 16/20 1.00
OPRL1 P41146 13/20 1.00
SLC6A5 Q9Y345 12/20 1.00

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
SCHEMBL5556683 1.00 SLC6A9 (1.00) SLC6A9OPRM1OPRL1SLC6A5
SCHEMBL5557243 1.00 SLC6A9 (1.00) SLC6A9OPRM1OPRL1SLC6A5
SCHEMBL5556686 1.00 SLC6A9 (1.00) SLC6A9OPRM1OPRL1SLC6A5
SCHEMBL5562223 0.94 SLC6A9 (1.00) SLC6A9OPRM1OPRL1SLC6A5
SCHEMBL5562471 0.93 SLC6A9 (1.00) SLC6A9OPRM1OPRL1SLC6A5
SCHEMBL5556036 0.93 SLC6A9 (1.00) SLC6A9OPRM1OPRL1SLC6A5
SCHEMBL5556040 0.93 SLC6A9 (1.00) SLC6A9OPRM1OPRL1SLC6A5
SCHEMBL5556905 0.93 SLC6A9 (1.00) SLC6A9OPRM1OPRL1SLC6A5
SCHEMBL5556909 0.93 SLC6A9 (1.00) SLC6A9OPRM1OPRL1SLC6A5
SCHEMBL5562468 0.93 SLC6A9 (1.00) SLC6A9OPRM1OPRL1SLC6A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150141462-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR TREATING DRUG ADDICTION AND PREVENTING A DRUG RELAPSE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-05-21 US disclosed