SCHEMBL441901

SCHEMBL441901

CCCc1cc(N)c2c(Cl)cc(Cl)cc2n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 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
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
BACE1 P56817 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
KDM4E B2RXH2 1/20 0.36
OPRL1 P41146 1/20 0.36
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 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
SCHEMBL439615 0.75 NR4A2 (0.59) MCHR1ASIC3OPRL1POLB
SCHEMBL439708 0.75 MCHR1 (0.43) MCHR1NOS3NOS1NOS2ASIC3
SCHEMBL439576 0.75 NR4A2 (0.54) MAPTBCHEACHEKDM4ELMNA
SCHEMBL438576 0.74 MCHR1 (0.49) MCHR1NOS3NOS1NOS2ASIC3
SCHEMBL436991 0.73 NOS3 (0.41) MCHR1NOS3NOS1NOS2ASIC3
SCHEMBL437444 0.72 MCHR1 (0.60) MCHR1ASIC3OPRL1
SCHEMBL31376093 0.71 MAPT (0.47) NOS3NOS1NOS2MAPTTP53
SCHEMBL438887 0.71 MCHR1 (0.44) MCHR1NOS3NOS1NOS2ASIC3
SCHEMBL439849 0.70 POLB (0.43) MCHR1NOS3NOS1NOS2ASIC3
SCHEMBL441586 0.69 KDM4E (0.60) MCHR1ASIC3ACHEKDM4E

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