SCHEMBL7209201

SCHEMBL7209201

COc1cc(N2CCC(C(=O)O)CC2)ccc1N

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 2/20 0.51
NEK2 P51955 5/20 0.48
PLK1 P53350 1/20 0.47
NEK1 Q96PY6 1/20 0.47
NOTUM Q6P988 4/20 0.46
APEX1 P27695 1/20 0.44
GAK O14976 1/20 0.44
KMT2A Q03164 2/20 0.44
IP6K1 Q92551 1/20 0.43
MAPT P10636 1/20 0.43
GAA P10253 1/20 0.43
PDK2 Q15119 1/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL12856205 0.89 LGMN (0.51) LGMNNEK2GAKIP6K1MAPT
SCHEMBL12312271 0.89 GAK (0.53) LGMNNEK2GAKKMT2AMAPT
SCHEMBL3311124 0.88 MAPT (0.57) LGMNNEK2GAKKMT2AMAPT
SCHEMBL12716971 0.87 NEK2 (0.54) NEK2NOTUMAPEX1KMT2A
SCHEMBL12312312 0.86 LGMN (0.48) LGMNNOTUMGAKMAPTPDK2
SCHEMBL29059982 0.85 HTR4 (0.44) LGMN
SCHEMBL3215648 0.84 NOTUM (0.59) NOTUMAPEX1
SCHEMBL13896505 0.84 NOTUM (0.53) NOTUMAPEX1KMT2APDK2
SCHEMBL30755065 0.84 NOTUM (0.59) NOTUMAPEX1
SCHEMBL517585 0.83 LGMN (0.46) LGMNIP6K1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012085126-A1 OXINDOLOPYRIMIDINE AS IGF1R RECEPTOR INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 WO disclosed
WO-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 WO disclosed
EP-1315750-A2 CYCLIC PEPTIDES HAVING MELANOCORTIN-4 RECEPTOR AGONIST ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2003-06-04 EP disclosed
EP-1272516-A2 SELECTIVE LINEAR PEPTIDES WITH MELANOCORTIN-4 RECEPTOR (MC4-R) AGONIST ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2003-01-08 EP disclosed
WO-2002018437-A2 CYCLIC PEPTIDES HAVING MELANOCORTIN-4 RECEPTOR AGONIST ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2002-03-07 WO disclosed
WO-2001074844-A2 SELECTIVE LINEAR PEPTIDES WITH MELANOCORTIN-4 RECEPTOR (MC4-R) AGONIST ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2001-10-11 WO disclosed