SCHEMBL2454922

SCHEMBL2454922

OC1CCCC(Cc2cccnc2F)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.33
C3AR1 Q16581 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA6 Q15825 1/20 0.33
CHRM4 P08173 1/20 0.32
GRIN1 Q05586 2/20 0.32
GRIN2B Q13224 2/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
HTR3A P46098 2/20 0.32
CDC7 O00311 1/20 0.32
DAPK3 O43293 1/20 0.32
PRKD3 O94806 1/20 0.32
MAP4K4 O95819 1/20 0.32
PAK4 O96013 1/20 0.32
PIM1 P11309 1/20 0.32
PRKACA P17612 1/20 0.32
CDK2 P24941 1/20 0.32

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
SCHEMBL2465174 0.91 HTR1A (0.35) KDM1AC3AR1CHRNB2CHRM4GRIN1
SCHEMBL8600656 0.73 GBA1 (0.46) KDM1AJAK3
SCHEMBL2457723 0.72 PDE10A (0.42)
SCHEMBL13331719 0.72 PDE10A (0.42)
SCHEMBL3324348 0.72 PDE10A (0.42)
SCHEMBL3324352 0.72 PDE10A (0.42)
SCHEMBL14878668 0.72 PDE10A (0.42)
SCHEMBL13331729 0.72 PDE10A (0.42)
SCHEMBL2457721 0.72 PDE10A (0.42)
SCHEMBL2456989 0.72 PDE10A (0.42)

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
EP-2376455-A1 AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2011-10-19 EP disclosed
EP-2364306-A1 Pyridine and pyrimidine derivatives as phosphodiesterase 10 inhibitors Amgen Inc. (US) 2011-09-14 EP disclosed