SCHEMBL8749508

SCHEMBL8749508

CC(C)(C)OC(=O)NC1CCC(CON2C(=O)c3ccccc3C2=O)C1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.51
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM1A O60341 1/20 0.46
MAOB P27338 1/20 0.46
DRD3 P35462 1/20 0.43
KCNA3 P22001 1/20 0.41
EPHX2 P34913 1/20 0.41
BRD4 O60885 2/20 0.41
BTK Q06187 1/20 0.40
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
ACACB O00763 1/20 0.38

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
SCHEMBL8749510 1.00 DRD2 (0.51) DRD2KMT2AL3MBTL1KDM1AMAOB
SCHEMBL8749514 1.00 DRD2 (0.51) DRD2KMT2AL3MBTL1KDM1AMAOB
SCHEMBL8749408 0.92 KMT2A (0.49) DRD2KMT2AL3MBTL1KDM1AMAOB
SCHEMBL8749707 0.92 KMT2A (0.49) DRD2KMT2AL3MBTL1KDM1AMAOB
SCHEMBL8749404 0.92 KMT2A (0.49) DRD2KMT2AL3MBTL1KDM1AMAOB
SCHEMBL5519650 0.84 DRD2 (0.55) DRD2KMT2AL3MBTL1KDM1AMAOB
SCHEMBL5537816 0.84 DRD2 (0.55) DRD2KMT2AL3MBTL1KDM1AMAOB
SCHEMBL26618068 0.82 DRD2 (0.47) DRD2KMT2AL3MBTL1KDM1AMAOB
SCHEMBL30415126 0.82 DRD2 (0.47) DRD2KMT2AL3MBTL1KDM1AMAOB
SCHEMBL4775473 0.81 KDM1A (0.48) DRD2KMT2AL3MBTL1KDM1AMAOB

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-0644872-B1 ORNITHINE DECARBOXYLASE INHIBITING CYCLIC AMINOOXY COMPOUNDS CIBA GEIGY AG (CH) 1997-03-19 EP disclosed
US-5516806-A ANTITUMOR CIBA-GEIGY CORPORATION (US) 1996-05-14 US disclosed
EP-0644872-A1 ORNITHINE DECARBOXYLASE INHIBITING CYCLIC AMINOOXY COMPOUNDS. CIBA GEIGY AG (CH) 1995-03-29 EP disclosed
WO-1994024093-A1 ORNITHINE DECARBOXYLASE INHIBITING CYCLIC AMINOOXY COMPOUNDS CIBA-GEIGY AG (CH) 1994-10-27 WO disclosed