SCHEMBL13879809

SCHEMBL13879809

CC1=Cc2ccn(C)c2CC1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36

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
SCHEMBL12334108 0.67 DRD2 (0.33) DRD2DRD1DRD4DRD5
SCHEMBL13326543 0.62
SCHEMBL5083188 0.62 DRD2 (0.47) DRD2DRD1DRD4DRD5
SCHEMBL13415331 0.61 DRD2 (0.46) DRD2DRD1DRD4DRD5
SCHEMBL15870923 0.60 DRD2 (0.37) DRD2DRD1DRD4DRD5
SCHEMBL5029738 0.58 KDM1A (0.46) DRD2
SCHEMBL6442527 0.58 NOTUM (0.39)
SCHEMBL18938898 0.57 PARP1 (0.38)
SCHEMBL15492687 0.57 HRH1 (0.35) DRD2DRD1DRD4DRD5
SCHEMBL15980338 0.57 ALDH1A1 (0.30) DRD4

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-2050734-A1 PENTADIENAMIDE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2009-04-22 EP disclosed