SCHEMBL4615995

SCHEMBL4615995

NC[C@H]1CCC(CCc2cccc3ccccc23)O1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 1.00
SLC6A2 P23975 10/20 1.00
SLC6A3 Q01959 8/20 0.59
SLC18A2 Q05940 1/20 0.49
SSTR2 P30874 1/20 0.44
SSTR4 P31391 1/20 0.44

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
SCHEMBL4615998 1.00 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3SLC18A2SSTR2
SCHEMBL2689256 0.91 SLC6A4 (0.84) SLC6A4SLC6A2SLC6A3SLC18A2SSTR2
SCHEMBL4616463 0.91 SLC6A4 (0.84) SLC6A4SLC6A2SLC6A3SLC18A2SSTR2
SCHEMBL5530756 0.84 SLC6A4 (0.72) SLC6A4SLC6A2SLC6A3SLC18A2
SCHEMBL14946777 0.82 SLC6A4 (0.70) SLC6A4SLC6A2SLC6A3
SCHEMBL8267196 0.82 SLC6A4 (0.69) SLC6A4SLC6A2SLC6A3SLC18A2SSTR2
SCHEMBL7050745 0.78 SLC6A2 (0.63) SLC6A4SLC6A2SLC18A2SSTR2SSTR4
SCHEMBL4616895 0.77 SLC6A4 (0.86) SLC6A4SLC6A2SLC6A3
SCHEMBL14949871 0.77 SLC6A4 (0.62) SLC6A4SLC6A2SLC18A2SSTR2SSTR4
SCHEMBL4617393 0.75 SLC6A4 (0.86) 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