SCHEMBL4409035

SCHEMBL4409035

Nc1nc(O)cc(COC2CCCCC2)n1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.37
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DCPS Q96C86 1/20 0.33
LNPEP Q9UIQ6 1/20 0.32
SCN9A Q15858 1/20 0.32
NOS3 P29474 6/20 0.32
NOS1 P29475 6/20 0.32
NOS2 P35228 6/20 0.32
GRM5 P41594 1/20 0.32
CDK2 P24941 1/20 0.32
NUDT1 P36639 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HRH4 Q9H3N8 1/20 0.30
LOX P28300 1/20 0.30
LOXL2 Q9Y4K0 1/20 0.30

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
SCHEMBL3188454 0.76 HTR6 (0.38) CDK2NUDT1HRH4
SCHEMBL3209557 0.74 HTR6 (0.36) CDK2HRH4
SCHEMBL605651 0.72 HRH3 (0.65) HRH4
SCHEMBL14616991 0.72 NPC1 (0.31)
SCHEMBL4259972 0.72 NPC1 (0.38) ADORA2AKDM4EALDH1A1
SCHEMBL4410427 0.70 DHFR (0.33) HRH4
SCHEMBL603031 0.70 HRH4 (0.69) HRH4
SCHEMBL604460 0.70 HRH3 (0.44) NUDT1HRH4
SCHEMBL603528 0.68 HRH3 (0.67) HRH4
SCHEMBL24309619 0.67 HRH4 (0.59) CDK2HRH4

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-2009077608-A1 2 -AMINOPYRIMIDINE DERIVATIVES AS HISTAMINE H4 ANTAGONISTS PALAU PHARMA, S. A. (ES) 2009-06-25 WO disclosed