SCHEMBL4617495

SCHEMBL4617495

COc1ccc2ccccc2c1C1CC[C@H](CN)O1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 18/20 0.58
SLC6A2 P23975 16/20 0.58
SLC6A3 Q01959 13/20 0.58
MAPT P10636 1/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 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
SCHEMBL2689881 1.00 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3MAPTMTNR1A
SCHEMBL2702986 0.90 SLC6A4 (0.67) SLC6A4SLC6A2SLC6A3MTNR1AMTNR1B
SCHEMBL4617393 0.78 SLC6A4 (0.86) SLC6A4SLC6A2SLC6A3
SCHEMBL2689095 0.74 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3
SCHEMBL4617052 0.74 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3
SCHEMBL7094962 0.73 MAPT (0.56) SLC6A4MAPTMTNR1AMTNR1B
Ammonia Solution, Strong SCHEMBL27509223 0.71 MAPT (0.55) SLC6A4MAPTMTNR1AMTNR1B
SCHEMBL4614922 0.70 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3
SCHEMBL4614928 0.70 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3
SCHEMBL4616895 0.69 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