SCHEMBL4686277

SCHEMBL4686277

O=C1c2c(O)c(=O)cc(Oc3cccnc3)n2CCN1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.46
MAPT P10636 3/20 0.39
MAOB P27338 1/20 0.36
TNIK Q9UKE5 1/20 0.36
DRD3 P35462 1/20 0.36
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
DRD4 P21917 1/20 0.35
CHRNA7 P36544 1/20 0.35
KMT2A Q03164 2/20 0.35
PPARG P37231 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
SCD O00767 1/20 0.35
DHPS P49366 1/20 0.35
CLPP Q16740 1/20 0.35
HTT P42858 2/20 0.34
MEN1 O00255 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL4683024 0.92 NAMPT (0.39) NAMPTTNIKKCNH2HRH3DRD4
SCHEMBL4684887 0.80 MAOB (0.42) NAMPTMAOBDRD3KCNH2KMT2A
SCHEMBL4687652 0.78 MAOB (0.39) NAMPTMAOBDRD3KCNH2HTT
SCHEMBL4322879 0.76 DRD4 (0.42) MAOBDRD3KCNH2HRH3DRD4
SCHEMBL4322869 0.75 MAOB (0.44) NAMPTMAOBDRD3KCNH2KMT2A
SCHEMBL4337990 0.74 MAOB (0.41) NAMPTMAOBDRD3KCNH2KMT2A
SCHEMBL4321955 0.74 DRD3 (0.43) NAMPTMAPTMAOBDRD3KCNH2
SCHEMBL4320344 0.73 CCR2 (0.44) NAMPTMAPTMAOBDRD3KCNH2
SCHEMBL4320847 0.73 MAOB (0.41) NAMPTMAOBDRD3KCNH2KMT2A
SCHEMBL4332720 0.73 CCR2 (0.43) MAOBDRD3KCNH2

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
EP-1973906-A1 HYDROXYDIHYDROPYRIDOPY RAZINE-1,8-DIONES AND METHODS FOR INHIBITING HIV INTEGRASE Virochem Pharma Inc. (CA) 2008-10-01 EP claimed
WO-2006066414-A1 HYDROXYDIHYDROPYRIDOPY RAZINE-1,8-DIONES AND METHODS FOR INHIBITING HIV INTEGRASE VIROCHEM PHARMA INC. (CA) 2006-06-29 WO claimed