SCHEMBL2480167

SCHEMBL2480167

CC1=C[CH]CC=C1N1CCN(C2CCC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.36
KDM2B Q8NHM5 9/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 1/20 0.33
L3MBTL3 Q96JM7 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL2485210 0.94 KMT2A (0.33) HRH3GAA
SCHEMBL467489 0.85 PIM1 (0.36) HRH3ALDH1A1L3MBTL3L3MBTL1
SCHEMBL1385856 0.76 ADRA2C (0.33) HRH3GAAALDH1A1
SCHEMBL2483016 0.76 GPR119 (0.30)
SCHEMBL2482791 0.74 CASP1 (0.34) KDM2B
SCHEMBL2480845 0.72 KDM4E (0.39) HRH3GAAALDH1A1
SCHEMBL468653 0.69 L3MBTL3 (0.46) HRH3ALDH1A1L3MBTL3L3MBTL1
SCHEMBL467680 0.69 KCNH2 (0.38) ALDH1A1L3MBTL3L3MBTL1
SCHEMBL2479690 0.68 HRH3 (0.34) HRH3KDM2BGAAALDH1A1L3MBTL3
SCHEMBL82007 0.65 L3MBTL3 (0.58) HRH3KDM2BL3MBTL3L3MBTL1

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-2376494-A1 DIHYDROPYRIMIDOPYRIMIDINE DERIVATIVES MSD K.K. (JP) 2011-10-19 EP disclosed
EP-2376493-A1 DIHYDROPYRIMIDOPYRIMIDINE DERIVATIVE 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