SCHEMBL4616658

SCHEMBL4616658

COc1ccc(F)cc1[C@@H]1CCC(CCN)O1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 20/20 1.00
SLC6A2 P23975 19/20 1.00
SLC6A3 Q01959 17/20 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
SCHEMBL5530572 1.00 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3
SCHEMBL5535888 1.00 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3
SCHEMBL2690111 1.00 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3
SCHEMBL2689777 1.00 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3
SCHEMBL2689977 1.00 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3
SCHEMBL2689682 0.90 SLC6A2 (1.00) SLC6A4SLC6A2SLC6A3
SCHEMBL2689110 0.90 SLC6A2 (1.00) SLC6A4SLC6A2SLC6A3
SCHEMBL5532065 0.90 SLC6A2 (1.00) SLC6A4SLC6A2SLC6A3
SCHEMBL2689399 0.90 SLC6A2 (1.00) SLC6A4SLC6A2SLC6A3
SCHEMBL2689226 0.84 SLC6A2 (0.76) 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