SCHEMBL2453879

SCHEMBL2453879

CON(C)C(=O)C1CCCN1c1ccc(N)c(NCCN)n1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.33
HSD11B1 P28845 2/20 0.33
MCHR1 Q99705 1/20 0.33
FPR2 P25090 1/20 0.32
SCN9A Q15858 1/20 0.32
ALOX5AP P20292 2/20 0.32
AADAT Q8N5Z0 5/20 0.31
TLR7 Q9NYK1 1/20 0.31
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
LCK P06239 1/20 0.30
JAK3 P52333 1/20 0.30
BTK Q06187 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
SCHEMBL2414057 0.84 HSD11B1 (0.43) SYKHSD11B1ALOX5APAADAT
SCHEMBL2414355 0.80 MAP4K4 (0.34) HSD11B1
SCHEMBL2415136 0.75 HSD11B1 (0.43) SYKHSD11B1ALOX5APAADAT
SCHEMBL2414294 0.75 CHUK (0.40) SYKFPR2SCN9AADORA2AADORA1
SCHEMBL2412722 0.74 HSD11B1 (0.42) SYKHSD11B1AADAT
SCHEMBL2415629 0.74 HSD11B1 (0.46) SYKHSD11B1ALOX5APAADAT
SCHEMBL2416932 0.72 MAP4K4 (0.34) SYKHSD11B1
SCHEMBL2411052 0.71 BCDIN3D (0.33) HSD11B1
SCHEMBL2413074 0.71 CYP1A2 (0.36) HSD11B1
SCHEMBL2416453 0.70 HSD11B1 (0.43) SYKHSD11B1ALOX5APAADAT

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
EP-1312606-B1 2,5-diaminopyridine oxidation bases and their use for dyeing of keratin fibres OREAL (FR) 2011-09-21 EP disclosed