SCHEMBL438576

SCHEMBL438576

CCCc1cc(N)c2cc(Cl)c(Cl)cc2n1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 18/20 0.49
ASIC3 Q9UHC3 1/20 0.46
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42

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
SCHEMBL437444 0.81 MCHR1 (0.60) MCHR1ASIC3
SCHEMBL439615 0.81 NR4A2 (0.59) MCHR1ASIC3
SCHEMBL4264863 0.77 MCHR1 (0.56) MCHR1ASIC3
SCHEMBL437578 0.76 MCHR1 (0.43) MCHR1ASIC3NOS3NOS1NOS2
SCHEMBL441586 0.75 KDM4E (0.60) MCHR1ASIC3
SCHEMBL439708 0.74 MCHR1 (0.43) MCHR1ASIC3NOS3NOS1NOS2
SCHEMBL437488 0.74 MCHR1 (0.58) MCHR1ASIC3
SCHEMBL437548 0.74 MCHR1 (0.49) MCHR1ASIC3NOS3NOS1NOS2
SCHEMBL439432 0.74 MCHR1 (0.49) MCHR1ASIC3NOS3NOS1NOS2
SCHEMBL440305 0.74 MCHR1 (0.58) MCHR1ASIC3

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