SCHEMBL4774672

SCHEMBL4774672

CCCCCCOc1nc(CCCc2ccccc2)cc(-c2ccc(N)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
HRH2 P25021 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
LTB4R Q15722 3/20 0.42
TLR8 Q9NR97 3/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SOAT1 P35610 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL4774626 0.88 NOS3 (0.43) NOS3NOS1NOS2HRH2HRH3
SCHEMBL4774611 0.84 LTB4R (0.47) LTB4RMEN1ALDH1A1MAPTKMT2A
SCHEMBL4776700 0.82 HRH2 (0.42) NOS3NOS1NOS2HRH2HRH3
SCHEMBL4776778 0.80 NFE2L2 (0.44) NOS3NOS1NOS2LTB4RMEN1
SCHEMBL4881501 0.78 PTGIR (0.40) MEN1KMT2A
SCHEMBL4776697 0.76 HRH2 (0.37) NOS3NOS1NOS2HRH2HRH3
SCHEMBL4776218 0.73 CYP19A1 (0.42) LTB4RMEN1ALDH1A1MAPTKMT2A
SCHEMBL4778112 0.72 NOS3 (0.47) NOS3NOS1NOS2LTB4RMEN1
Benzidine SCHEMBL28120863 0.70 MAOB (0.64) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL20547931 0.70 LTB4R (0.55) LTB4RTLR8MEN1ALDH1A1MAPT

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-2008009963-A2 PYRIMIDINE DERIVATIVES AS MODULATORS OF PARATHYROID HORMONE RECEPTORS JAMES BLACK FOUNDATION LIMITED (GB) 2008-01-24 WO disclosed