SCHEMBL4774798

SCHEMBL4774798

CCCCCCCC(C)c1nc(CCCc2ccccc2)cc(-c2ccc(N)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
DHODH Q02127 1/20 0.40
HRH2 P25021 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
LTB4R Q15722 1/20 0.38
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CSNK1E P49674 1/20 0.37
MAOB P27338 2/20 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
SCHEMBL4774621 0.88 DHODH (0.41) NOS3NOS1NOS2DHODHHRH2
SCHEMBL4794392 0.85 DHODH (0.36) NOS3NOS1NOS2DHODHHRH2
SCHEMBL4780548 0.85 DHODH (0.39) NOS3NOS1NOS2DHODHHRH2
SCHEMBL4794671 0.80 HTR1D (0.51) DHODHMAOB
SCHEMBL4774769 0.80 SLC6A2 (0.37) NOS3NOS1NOS2DHODHMEN1
SCHEMBL4796492 0.78 TAAR1 (0.42) NOS3NOS1NOS2DHODHGSK3B
SCHEMBL4774672 0.78 NOS3 (0.43) NOS3NOS1NOS2DHODHHRH2
SCHEMBL4780934 0.78 DHODH (0.40) NOS3NOS1NOS2DHODHHRH2
SCHEMBL4795346 0.76 CTSK (0.41) DHODH
SCHEMBL4791758 0.75 SREBF2 (0.36) DHODHGSK3B

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