SCHEMBL2482995

SCHEMBL2482995

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
ALDH1A1 P00352 5/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
THRB P10828 1/20 0.36
ALOX15 P16050 2/20 0.34
HSD17B10 Q99714 2/20 0.34
ALOX12 P18054 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL2482791 0.77 CASP1 (0.34) DRD2DRD3
SCHEMBL2481901 0.73 SLC18A3 (0.45) DRD2ALDH1A1HPGDTSHRLMNA
SCHEMBL2483016 0.72 GPR119 (0.30)
SCHEMBL2485210 0.71 KMT2A (0.33) MEN1KMT2AGAA
SCHEMBL2481854 0.68 CHKA (0.37) KMT2ADRD2ALDH1A1GAAMAPT
SCHEMBL2481194 0.68 MEN1 (0.40) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL15846470 0.67 KMT2A (0.40) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL19001474 0.66 DRD2 (0.46) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL8843222 0.66 NSD2 (0.48) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL82832 0.65 MAPT (0.61) MEN1KMT2ADRD2MAPTNPSR1

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