SCHEMBL4813149

SCHEMBL4813149

CN(C)C(=O)CN1C[C@H](C(=O)c2ccccc2)C(c2cccc(C(=O)O)c2)[C@H](C(=O)c2ccccc2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.42
RORC P51449 1/20 0.38
OPRD1 P41143 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GRIN2B Q13224 1/20 0.36
DRD3 P35462 1/20 0.36
KDM1A O60341 2/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
DRD2 P14416 1/20 0.35
KDM2B Q8NHM5 1/20 0.35
MELK Q14680 2/20 0.35
CHEK1 O14757 1/20 0.35
PRKAB2 O43741 1/20 0.35
NUAK1 O60285 1/20 0.35
MAPK1 P28482 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35

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
SCHEMBL4749038 0.91 PARP1 (0.43) OPRD1KDM1AMAOAMAOB
SCHEMBL4749047 0.91 PARP1 (0.43) OPRD1KDM1AMAOAMAOB
SCHEMBL4019710 0.90 RORC (0.43) RORCMEN1KMT2AGRIN2BKDM1A
SCHEMBL4024572 0.90 RORC (0.43) RORCMEN1KMT2AGRIN2BKDM1A
SCHEMBL4019712 0.90 RORC (0.43) RORCMEN1KMT2AGRIN2BKDM1A
SCHEMBL4024492 0.90 DRD2 (0.43) RORCMEN1KMT2AGRIN2BDRD3
SCHEMBL4020117 0.90 GRIN2B (0.40) GRIN2BDRD3DRD2
SCHEMBL4020120 0.90 GRIN2B (0.40) GRIN2BDRD3DRD2
SCHEMBL4024495 0.90 DRD2 (0.43) RORCMEN1KMT2AGRIN2BDRD3
SCHEMBL4751419 0.89 MEN1 (0.40) OPRD1MEN1KMT2AGRIN2BMELK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008140810-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-11-20 WO disclosed