SCHEMBL6766587

SCHEMBL6766587

CNC(=O)c1cccc2[nH]c(=O)n(C)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.43
PKN1 Q16512 1/20 0.42
PKN2 Q16513 1/20 0.42
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
PLK1 P53350 1/20 0.41
LMNA P02545 1/20 0.41
BRD4 O60885 3/20 0.40
GAA P10253 1/20 0.40
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
YTHDC1 Q96MU7 1/20 0.38
MTNR1A P48039 1/20 0.38
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CRBN Q96SW2 1/20 0.37
AURKA O14965 1/20 0.37

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
SCHEMBL6768286 0.84 BRD4 (0.44) DAOADORA3ADORA2AADORA2BADORA1
SCHEMBL13015570 0.83 DAO (0.46) DAOADORA3ADORA2AADORA2BADORA1
SCHEMBL2084410 0.82 DAO (0.43) DAOPKN1PKN2ADORA3ADORA2A
SCHEMBL6766709 0.81 PARP1 (0.45) DAOADORA3ADORA2AADORA2BADORA1
SCHEMBL306633 0.81 CRBN (0.40) DAOADORA3ADORA2AADORA2BADORA1
SCHEMBL2084332 0.76 NPSR1 (0.50) LMNABRD4KDM4E
SCHEMBL306634 0.75 DAO (0.40) DAOADORA3ADORA2AADORA2BADORA1
SCHEMBL13015572 0.75 HPGD (0.46) GAAKDM4E
SCHEMBL29502192 0.74 DAO (0.50) DAOADORA3ADORA2AADORA2BADORA1
SCHEMBL13015488 0.74 DAO (0.50) DAOADORA3ADORA2AADORA2BADORA1

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
US-6699880-B1 STIMULATE MUSCARINIC ACETYLCHOLINE RECEPTORS M4, ANALGESICS BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-03-02 US disclosed
EP-1221443-A1 SUBSTITUTED IMIDAZOLIDINONE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-07-10 EP disclosed