SCHEMBL438225

SCHEMBL438225

CCCc1cc(N)c2ccc(Cl)c(Cl)c2n1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.42
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
ASIC3 Q9UHC3 1/20 0.39
NR4A2 P43354 1/20 0.39
MAPT P10636 2/20 0.38
BACE1 P56817 1/20 0.36
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL439885 0.87 NOS3 (0.41) MCHR1NOS3NOS1NOS2ASIC3
SCHEMBL439825 0.82 NR4A2 (0.60) MCHR1NOS3NOS1NOS2ASIC3
SCHEMBL436991 0.78 NOS3 (0.41) MCHR1NOS3NOS1NOS2ASIC3
SCHEMBL439708 0.77 MCHR1 (0.43) MCHR1NOS3NOS1NOS2ASIC3
SCHEMBL436015 0.76 NOS3 (0.39) MCHR1NOS3NOS1NOS2ASIC3
SCHEMBL438834 0.76 NOS2 (0.50) MCHR1NOS3NOS1NOS2ASIC3
SCHEMBL439768 0.76 NR4A2 (0.65) NR4A2MAPTLMNAPOLB
SCHEMBL440069 0.75 NOS2 (0.41) MCHR1NOS3NOS1NOS2ASIC3
SCHEMBL439849 0.75 POLB (0.43) MCHR1NOS3NOS1NOS2ASIC3
SCHEMBL439615 0.74 NR4A2 (0.59) MCHR1ASIC3NR4A2POLB

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