SCHEMBL2479690

SCHEMBL2479690

[CH]1C=CC(N2CCN(C3CCC3)CC2)=CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.34
L3MBTL3 Q96JM7 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HRH1 P35367 1/20 0.33
KDM2B Q8NHM5 5/20 0.32
GRIN2B Q13224 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MBTD1 Q05BQ5 1/20 0.31
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
HTR6 P50406 1/20 0.31
GAA P10253 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL2480855 0.93 HRH3 (0.34) HRH3L3MBTL3L3MBTL1GRIN2BDRD2
SCHEMBL6687902 0.85 L3MBTL3 (0.47) HRH3L3MBTL3L3MBTL1MBTD1
SCHEMBL188370 0.78
SCHEMBL695794 0.76 ALDH1A1 (0.31) ALDH1A1
SCHEMBL1900342 0.76 ALDH1A1 (0.31) ALDH1A1
SCHEMBL2480196 0.75 FAAH (0.32) L3MBTL3L3MBTL1MEN1KMT2A
SCHEMBL1681276 0.74 TSHR (0.37) HRH3L3MBTL1ALDH1A1GAAMEN1
SCHEMBL2483385 0.72 CASP1 (0.35) DRD2DRD3
SCHEMBL187983 0.69 ADRB1 (0.36) HRH1ALDH1A1HTR6
SCHEMBL2476107 0.69 CHRNA7 (0.42) HRH3ALDH1A1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376493-A1 DIHYDROPYRIMIDOPYRIMIDINE DERIVATIVE MSD K.K. (JP) 2011-10-19 EP disclosed
EP-2376494-A1 DIHYDROPYRIMIDOPYRIMIDINE DERIVATIVES MSD K.K. (JP) 2011-10-19 EP disclosed
WO-2010067886-A1 DIHYDROPYRIMIDOPYRIMIDINE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-06-17 WO disclosed
WO-2010067888-A1 DIHYDROPYRIMIDOPYRIMIDINE DERIVATIVES BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-06-17 WO disclosed