SCHEMBL4636013

SCHEMBL4636013

NCCC1CCC(CCc2ccc(OCF)cc2)O1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 14/20 0.62
SLC6A2 P23975 12/20 0.62
SLC6A3 Q01959 11/20 0.62

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
SCHEMBL2690240 0.82 SLC6A4 (0.66) SLC6A4SLC6A2SLC6A3
SCHEMBL2691930 0.82 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3
SCHEMBL2690100 0.80 SLC6A2 (0.71) SLC6A4SLC6A2SLC6A3
SCHEMBL2689223 0.77 SLC6A4 (0.71) SLC6A4SLC6A2SLC6A3
SCHEMBL2689785 0.77 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3
SCHEMBL14946771 0.77 SLC6A4 (0.77) SLC6A4SLC6A2SLC6A3
SCHEMBL2690476 0.77 SLC6A4 (0.81) SLC6A4SLC6A2SLC6A3
SCHEMBL2691516 0.75 SLC6A4 (0.68) SLC6A4SLC6A2SLC6A3
SCHEMBL2698801 0.74 SLC6A4 (0.67) SLC6A4SLC6A2SLC6A3
SCHEMBL2689350 0.74 SLC6A4 (0.66) SLC6A4SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1771435-A4 MODULATORS OF CENTRAL NERVOUS SYSTEM NEUROTRANSMITTERS HUMAN BIOMOLECULAR RES INST (US) 2008-02-13 EP disclosed
EP-1771435-A2 MODULATORS OF CENTRAL NERVOUS SYSTEM NEUROTRANSMITTERS Human Biomolecular Research Institute (US) 2007-04-11 EP disclosed
WO-2006025920-A2 MODULATORS OF CENTRAL NERVOUS SYSTEM NEUROTRANSMITTERS HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2006-03-09 WO disclosed