SCHEMBL742006

SCHEMBL742006

COC1(OC)CCC(N)(C(=O)OCc2ccccc2)C(N)(C(=O)OCc2ccccc2)C1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
ALDH1A1 P00352 3/20 0.43
SLC1A3 P43003 2/20 0.40
SLC1A2 P43004 2/20 0.40
SLC1A1 P43005 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL742955 0.83 DDB1 (0.47) DDB1CRBNALDH1A1KMT2ACA12
SCHEMBL743375 0.78 DDB1 (0.42) DDB1CRBNALDH1A1MEN1CYP2C9
SCHEMBL13818210 0.76 ALDH1A1 (0.49) DDB1CRBNALDH1A1KMT2AMAPK1
SCHEMBL21504116 0.76 ALDH1A1 (0.45) DDB1CRBNALDH1A1KMT2ACA12
SCHEMBL21504136 0.75 DDB1 (0.47) DDB1CRBNALDH1A1SLC1A3SLC1A2
SCHEMBL23460656 0.74 ALDH1A1 (0.53) DDB1CRBNALDH1A1KMT2ACA12
SCHEMBL741732 0.74 ALDH1A1 (0.51) DDB1CRBNALDH1A1SLC1A3SLC1A2
SCHEMBL1504309 0.74 ALDH1A1 (0.53) DDB1CRBNALDH1A1KMT2AMAPK1
SCHEMBL2542693 0.74 DDB1 (0.54) DDB1CRBNALDH1A1SLC1A3SLC1A2
SCHEMBL741795 0.73 DDB1 (0.51) DDB1CRBNALDH1A1CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2431370-B1 Monoacylated 1,2-diaminocycloalkanes DAIICHI SANKYO CO LTD (JP) 2013-06-19 EP disclosed
EP-2431370-A1 Monoacylated 1,2-diaminocycloalkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-03-21 EP disclosed
US-7935824-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-05-03 US disclosed