SCHEMBL439708

SCHEMBL439708

CCCc1cc(N)c2cc(Cl)cc(Cl)c2n1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.43
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
ASIC3 Q9UHC3 1/20 0.40
BCHE P06276 3/20 0.39
ACHE P22303 3/20 0.39
GRIN1 Q05586 3/20 0.39
GRIN2A Q12879 3/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
BACE1 P56817 1/20 0.37
NR4A2 P43354 1/20 0.36
ADORA2A P29274 1/20 0.36
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
SREBF2 Q12772 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
SCHEMBL438887 0.86 MCHR1 (0.44) MCHR1NOS3NOS1NOS2ASIC3
SCHEMBL438834 0.86 NOS2 (0.50) MCHR1NOS3NOS1NOS2ASIC3
SCHEMBL441787 0.82 MCHR1 (0.37) MCHR1NOS3NOS1NOS2ASIC3
SCHEMBL439825 0.80 NR4A2 (0.60) MCHR1NOS3NOS1NOS2ASIC3
SCHEMBL438225 0.77 MCHR1 (0.42) MCHR1NOS3NOS1NOS2ASIC3
SCHEMBL439885 0.76 NOS3 (0.41) MCHR1NOS3NOS1NOS2ASIC3
SCHEMBL437444 0.75 MCHR1 (0.60) MCHR1ASIC3
SCHEMBL441901 0.75 MCHR1 (0.43) MCHR1NOS3NOS1NOS2ASIC3
SCHEMBL437497 0.75 NR4A2 (0.62) BCHEACHEGRIN1GRIN2AALDH1A1
SCHEMBL438576 0.74 MCHR1 (0.49) MCHR1NOS3NOS1NOS2ASIC3

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
US-20120065166-A1 Bone Modulators And Methods Therewith ESPINA VIRGINIA (US) 2012-03-15 US disclosed