SCHEMBL6766709

SCHEMBL6766709

Cn1c(=O)[nH]c2cccc(C(N)=O)c21

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 14/20 0.45
DAO P14920 2/20 0.45
ADORA3 P0DMS8 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA2B P29275 1/20 0.44
ADORA1 P30542 1/20 0.44
LMNA P02545 1/20 0.42
PARP2 Q9UGN5 1/20 0.41
PLA2G2A P14555 1/20 0.40
ALOX15 P16050 1/20 0.40
PTGS2 P35354 1/20 0.40
DPP4 P27487 1/20 0.40

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
SCHEMBL13015570 0.85 DAO (0.46) PARP1DAOADORA3ADORA2AADORA2B
SCHEMBL6766587 0.81 DAO (0.43) DAOADORA3ADORA2AADORA2BADORA1
SCHEMBL2084410 0.81 DAO (0.43) DAOADORA3ADORA2AADORA2BADORA1
SCHEMBL6768286 0.78 BRD4 (0.44) PARP1DAOADORA3ADORA2AADORA2B
SCHEMBL13015572 0.78 HPGD (0.46)
SCHEMBL306634 0.78 DAO (0.40) DAOADORA3ADORA2AADORA2BADORA1
SCHEMBL13015488 0.76 DAO (0.50) DAOADORA3ADORA2AADORA2BADORA1
SCHEMBL29502192 0.76 DAO (0.50) DAOADORA3ADORA2AADORA2BADORA1
SCHEMBL2082442 0.76 ADORA3 (0.49) DAOADORA3ADORA2AADORA2BADORA1
SCHEMBL2084332 0.76 NPSR1 (0.50) PARP1LMNAPLA2G2AALOX15PTGS2

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