SCHEMBL4635967

SCHEMBL4635967

Cc1ccc(CCC2CCC(CC[AsH2])O2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.50
SLC6A4 P31645 5/20 0.50
SLC6A3 Q01959 4/20 0.50
MAOB P27338 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP2A6 P11509 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
ALOX5 P09917 1/20 0.37
HRH3 Q9Y5N1 3/20 0.36
HRH1 P35367 2/20 0.35
IGF1R P08069 1/20 0.34
ALOX15 P16050 1/20 0.34
GAA P10253 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL2689223 0.83 SLC6A4 (0.71) SLC6A2SLC6A4SLC6A3MAOBCYP1A2
SCHEMBL19321713 0.74 CYP1A2 (0.45) SLC6A2SLC6A4SLC6A3MAOBCYP1A2
SCHEMBL8804326 0.74 CYP1A2 (0.45) SLC6A2SLC6A4SLC6A3MAOBCYP1A2
SCHEMBL18499946 0.72 ALOX5 (0.49) SLC6A2SLC6A4SLC6A3MAOBCYP1A2
SCHEMBL15448408 0.67 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3CYP2A6
SCHEMBL2690240 0.67 SLC6A4 (0.66) SLC6A2SLC6A4SLC6A3MAOBTAAR1
SCHEMBL2689350 0.67 SLC6A4 (0.66) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL2692483 0.67 SLC6A4 (0.81) SLC6A2SLC6A4SLC6A3
SCHEMBL2690027 0.67 SLC6A2 (0.71) SLC6A2SLC6A4SLC6A3TAAR1
SCHEMBL2690100 0.67 SLC6A2 (0.71) SLC6A2SLC6A4SLC6A3MAOBTAAR1

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