SCHEMBL2366638

SCHEMBL2366638

O=CCN1CCC(c2nccnc2Oc2ccc(Cl)nc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNA3 P32297 4/20 0.38
CHRNB2 P17787 2/20 0.37
CHRNB4 P30926 2/20 0.37
CHRNA4 P43681 2/20 0.37
CHRNB1 P11230 1/20 0.37
CHRNB3 Q05901 1/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
PDE10A Q9Y233 1/20 0.35
CHRNA7 P36544 1/20 0.35

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
SCHEMBL2488315 0.83 PDE10A (0.39) PDE10A
SCHEMBL2485556 0.80
SCHEMBL1304247 0.79 PDE10A (0.55) PDE10A
SCHEMBL2484904 0.76
SCHEMBL2485428 0.76
SCHEMBL2366771 0.75 PDE10A (0.48) PDE10A
SCHEMBL2367290 0.74 DRD2 (0.32)
SCHEMBL2366922 0.71 PDE10A (0.59) PDE10A
SCHEMBL2366757 0.69 CHRM4 (0.31)
SCHEMBL2487090 0.69 HTR1A (0.47) PDE10A

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-2364308-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2011-09-14 EP disclosed
WO-2010057121-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2010-05-20 WO disclosed