SCHEMBL2479136

SCHEMBL2479136

CC(=O)C1CCN(C2=CC[CH]C=C2)CC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.33
KDM4E B2RXH2 2/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP2C19 P33261 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
SCHEMBL15904697 0.87 KDM4E (0.45) NOTUMKDM4EUSP2HPGDNPSR1
SCHEMBL15903964 0.81 NOTUM (0.50) NOTUMKDM4ECYP2C19
SCHEMBL2480403 0.79 CASP6 (0.42) KDM4EHPGDCYP2C19
SCHEMBL2480196 0.74 FAAH (0.32)
SCHEMBL15903928 0.73 ALDH1A1 (0.47) NOTUMKDM4EHSD17B10
SCHEMBL2480855 0.71 HRH3 (0.34)
SCHEMBL1900342 0.71 ALDH1A1 (0.31)
SCHEMBL695794 0.71 ALDH1A1 (0.31)
SCHEMBL2484178 0.71 FASN (0.40)
SCHEMBL2480266 0.70 AKR1C3 (0.42) KDM4EHPGDNPSR1

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