SCHEMBL13680963

SCHEMBL13680963

O=CCCc1ncc(-c2ccccc2)[nH]1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 10/20 0.64
BRS3 P32247 1/20 0.50
NPY5R Q15761 1/20 0.47
SCN2A Q99250 1/20 0.47
HPGDS O60760 2/20 0.47
MASP2 O00187 1/20 0.46
RAB9A P51151 1/20 0.44

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
SCHEMBL19292508 0.86 PDE10A (0.55) PDE10ABRS3HPGDS
SCHEMBL1501948 0.78 PDE10A (0.70) PDE10ABRS3NPY5RSCN2AHPGDS
SCHEMBL1501842 0.78 PDE10A (1.00) PDE10ABRS3NPY5RSCN2AHPGDS
SCHEMBL19292016 0.75 PDE10A (0.43) PDE10ABRS3NPY5RHPGDS
SCHEMBL19292309 0.75 HPGDS (0.45) PDE10ABRS3NPY5RHPGDS
SCHEMBL19292023 0.75 PDE10A (0.43) PDE10ABRS3HPGDS
SCHEMBL259049 0.74 PDE10A (0.64) PDE10ANPY5RSCN2AHPGDSMASP2
SCHEMBL1501900 0.74 PDE10A (0.64) PDE10ANPY5RSCN2AHPGDSMASP2
SCHEMBL2562957 0.74 PDE10A (0.64) PDE10ANPY5RSCN2AHPGDSMASP2
SCHEMBL5282438 0.73 PDE10A (0.58) PDE10ABRS3NPY5RSCN2AHPGDS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed