SCHEMBL41457

SCHEMBL41457

Fc1ccccc1C(c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.53
TDO2 P48775 2/20 0.53
GAA P10253 3/20 0.47
SLC6A2 P23975 3/20 0.41
SLC6A4 P31645 3/20 0.41
SLC6A3 Q01959 3/20 0.41
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP19A1 P11511 1/20 0.38
CNR2 P34972 1/20 0.38
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38

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
Dimethylamine SCHEMBL2391505 0.91 IDO1 (0.47) IDO1TDO2GAASLC6A2SLC6A4
SCHEMBL2066940 0.84 IDO1 (0.45) IDO1TDO2GAAOPRM1OPRD1
SCHEMBL31409208 0.82 IDO1 (0.43) IDO1TDO2GAASLC6A2SLC6A4
SCHEMBL7909645 0.82 GAA (0.55) IDO1TDO2GAASLC6A2SLC6A4
SCHEMBL24550469 0.81 SLC6A2 (0.50) IDO1TDO2GAASLC6A2SLC6A4
SCHEMBL9480974 0.78 IDO1 (0.52) IDO1TDO2GAAOPRM1OPRD1
SCHEMBL3782815 0.78 IDO1 (0.52) IDO1TDO2GAAOPRM1OPRD1
SCHEMBL2391501 0.78 SLC2A1 (0.46) IDO1TDO2GAAALDH1A1KMT2A
SCHEMBL17071859 0.76 IDO1 (0.50) IDO1TDO2GAAOPRM1OPRD1
SCHEMBL8108090 0.76 IDO1 (0.50) IDO1TDO2GAAOPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130281504-A1 Reduction of Microglia-Mediated Neurotoxicity by KCa3.1 Inhibition THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-10-24 US disclosed
WO-2012006117-A2 REDUCTION OF MICROGLIA-MEDIATED NEUROTOXICITY BY KCA3.1 INHIBITION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-01-12 WO disclosed
US-7531573-B2 potent, selective and safe inhibitors of the Ca2+-activated potassium channel CHILDREN'S MEDICAL CENTER CORPORATION (US) 2009-05-12 US disclosed
US-7531573-B2 potent, selective and safe inhibitors of the Ca2+-activated potassium channel CHILDREN'S MEDICAL CENTER CORPORATION (US) 2009-05-12 US disclosed