SCHEMBL441787

SCHEMBL441787

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.37
ASIC3 Q9UHC3 1/20 0.37
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
HSP90AB1 P08238 3/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HSP90AA1 P07900 2/20 0.35
BACE1 P56817 1/20 0.34
CRHR1 P34998 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
SCHEMBL439708 0.82 MCHR1 (0.43) MCHR1ASIC3NOS3NOS1NOS2
SCHEMBL438887 0.81 MCHR1 (0.44) MCHR1ASIC3NOS3NOS1NOS2
SCHEMBL438754 0.79 HSP90AB1 (0.52) MCHR1HSP90AB1
SCHEMBL439805 0.78 NR4A2 (0.47) MAPTHSP90AB1HSP90AA1CRHR1
SCHEMBL441438 0.77 MAPT (0.43) MCHR1NOS3NOS1NOS2MAPT
SCHEMBL438834 0.72 NOS2 (0.50) MCHR1ASIC3NOS3NOS1NOS2
SCHEMBL437444 0.71 MCHR1 (0.60) MCHR1ASIC3
SCHEMBL439825 0.70 NR4A2 (0.60) MCHR1ASIC3NOS3NOS1NOS2
SCHEMBL438225 0.70 MCHR1 (0.42) MCHR1ASIC3NOS3NOS1NOS2
SCHEMBL438849 0.69 NOS3 (0.41) MCHR1ASIC3NOS3NOS1NOS2

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