SCHEMBL21748381

SCHEMBL21748381

CCC(C(=O)O)n1c(Oc2ccc(-n3c(=O)n(CC)c4cccnc43)cc2)nc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 7/20 0.40
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
PABPC1 P11940 1/20 0.36
AR P10275 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
MET P08581 2/20 0.35
CMA1 P23946 1/20 0.34
MCHR1 Q99705 1/20 0.34
MAPK8 P45983 1/20 0.34
PGR P06401 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
SCHEMBL9981149 0.84 MEN1 (0.42) PDE10AMEN1KMT2APOLBPABPC1
SCHEMBL9981159 0.83 PDE10A (0.39) PDE10AMEN1KMT2APOLBPABPC1
SCHEMBL1701334 0.83 PDE10A (0.47) PDE10AMAPK8
SCHEMBL1703500 0.81 PDE10A (0.41) PDE10AMEN1KMT2APOLBMAPK1
SCHEMBL12045528 0.80 ALDH1A1 (0.50) MEN1KMT2AAR
SCHEMBL1701241 0.80 EGFR (0.38) PDE10AMEN1KMT2AARMAPK1
SCHEMBL9980990 0.80 PDE10A (0.44) PDE10AMEN1KMT2APOLBPABPC1
SCHEMBL9981652 0.80 ALDH1A1 (0.43) PDE10A
SCHEMBL1704471 0.77 PDE10A (0.37) PDE10AMEN1KMT2AARMAPK1
SCHEMBL12045585 0.77 PDE10A (0.37) PDE10AMEN1KMT2APOLBAR

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
EP-2585462-B1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS TAKEDA PHARMACEUTICALS CO (JP) 2020-02-26 EP disclosed