SCHEMBL2416331

SCHEMBL2416331

Nc1ccc(N2CCC(CO)C2)nc1N1CCCC1NC=O

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.43
PTGER4 P35408 3/20 0.38
PDE10A Q9Y233 10/20 0.38
FPR1 P21462 1/20 0.34
FPR2 P25090 1/20 0.34
HSD11B1 P28845 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
SCHEMBL2410080 0.87 SMPD3 (0.40) PDE10A
SCHEMBL2415328 0.85 HRH4 (0.40) MAP4K4PDE10A
SCHEMBL2410491 0.84 SMPD3 (0.33) PDE10A
SCHEMBL2411521 0.84 MAPT (0.39) MAP4K4HSD11B1
SCHEMBL2415961 0.83 CHUK (0.39) PDE10AFPR2
SCHEMBL2411529 0.83 SMPD3 (0.33)
SCHEMBL2416308 0.82 AKT1 (0.39) MAP4K4FPR1FPR2
SCHEMBL2414864 0.81 CHUK (0.39) PDE10A
SCHEMBL2413886 0.80 PDE10A (0.34) PDE10A
SCHEMBL2415245 0.79 SMPD3 (0.36) PDE10A

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 claimed