SCHEMBL14710296

SCHEMBL14710296

Bc1ccc(C2(CO)CC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.37
SLC6A2 P23975 2/20 0.37
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
PRKAB2 O43741 7/20 0.35
PRKAG1 P54619 7/20 0.35
PRKAA2 P54646 7/20 0.35
PRKAA1 Q13131 7/20 0.35
PRKAG3 Q9UGI9 7/20 0.35
PRKAG2 Q9UGJ0 7/20 0.35
PRKAB1 Q9Y478 7/20 0.35
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
HSD11B1 P28845 2/20 0.31
SLC6A3 Q01959 3/20 0.31
CCR1 P32246 1/20 0.31
ICAM1 P05362 1/20 0.30

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
SCHEMBL7055234 0.79 ESR2 (0.48) SLC6A4SLC6A2MAOAMAOBTAAR1
SCHEMBL3615305 0.77 SLC6A4 (0.52) SLC6A4SLC6A2MAOAMAOBPRKAB2
SCHEMBL8353941 0.77 L3MBTL1 (0.41) SLC6A4SLC6A2MAOAMAOBTAAR1
SCHEMBL4275 0.77 ALDH1A1 (0.38) SLC6A4SLC6A2MAOAMAOBTAAR1
SCHEMBL7704791 0.77 SLC6A3 (0.52) SLC6A4SLC6A2MAOAMAOBPRKAB2
SCHEMBL5645623 0.77 SLC6A2 (0.37) SLC6A4SLC6A2MAOAMAOBTAAR1
SCHEMBL7898281 0.77 MAOA (0.61) SLC6A4SLC6A2MAOAMAOBTAAR1
SCHEMBL17402654 0.77 MAOA (0.35) SLC6A4SLC6A2MAOAMAOBTAAR1
SCHEMBL1371770 0.76 MAOA (0.60) SLC6A4SLC6A2MAOAMAOBTAAR1
SCHEMBL2317613 0.74 ENPP2 (0.39) SLC6A4SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013025733-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-02-21 WO disclosed