SCHEMBL7453306

SCHEMBL7453306

CC(c1cnc2ccccc2n1)c1cnc2ccccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.47
HTT P42858 5/20 0.46
HPGD P15428 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
RXFP1 Q9HBX9 2/20 0.45
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
KDM4E B2RXH2 2/20 0.43
GPR3 P46089 1/20 0.43
ALDH1A1 P00352 3/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
MAPT P10636 1/20 0.42
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
CYP1A2 P05177 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL1102411 0.87 PDE10A (0.47) PDE10AHTTHPGDSMN1; SMN2NPSR1
SCHEMBL31300307 0.87 PDE10A (0.47) PDE10AHTTHPGDSMN1; SMN2NPSR1
SCHEMBL25253725 0.83 PDE10A (0.44) PDE10AHTTHPGDSMN1; SMN2NPSR1
SCHEMBL27917382 0.83 SMN1; SMN2 (0.46) PDE10AHTTHPGDSMN1; SMN2NPSR1
SCHEMBL28320480 0.83 SMN1; SMN2 (0.46) PDE10AHTTHPGDSMN1; SMN2NPSR1
SCHEMBL9963715 0.80 PDE10A (0.46) PDE10AHTTHPGDSMN1; SMN2NPSR1
SCHEMBL28001707 0.79 BIRC5 (0.43) PDE10AHTTHPGDSMN1; SMN2NPSR1
SCHEMBL18635679 0.78 PDE10A (0.47) PDE10AHTTHPGDSMN1; SMN2NPSR1
SCHEMBL11870668 0.78 PDE10A (0.47) PDE10AHTTHPGDSMN1; SMN2NPC1
SCHEMBL3501664 0.78 PDE10A (0.52) PDE10AHTTHPGDSMN1; SMN2NPSR1

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
CN-103038229-B Heteroaryl compounds and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2016-05-11 CN disclosed
EP-2576540-A2 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2013-04-10 EP disclosed
WO-2011150156-A2 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2011-12-01 WO disclosed