SCHEMBL437578

SCHEMBL437578

CCCc1cc(N)c2cc(C)c(Br)cc2n1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 18/20 0.43
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
ASIC3 Q9UHC3 1/20 0.39

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
SCHEMBL437548 0.77 MCHR1 (0.49) MCHR1NOS3NOS1NOS2ASIC3
SCHEMBL440305 0.77 MCHR1 (0.58) MCHR1ASIC3
SCHEMBL438576 0.76 MCHR1 (0.49) MCHR1NOS3NOS1NOS2ASIC3
SCHEMBL440057 0.76 NOS2 (0.42) MCHR1NOS3NOS1NOS2ASIC3
SCHEMBL4264863 0.73 MCHR1 (0.56) MCHR1ASIC3
SCHEMBL437498 0.73 NOS2 (0.50) MCHR1NOS3NOS1NOS2ASIC3
SCHEMBL440069 0.72 NOS2 (0.41) MCHR1NOS3NOS1NOS2ASIC3
SCHEMBL440237 0.72 ACHE (0.59)
SCHEMBL441586 0.71 KDM4E (0.60) MCHR1ASIC3
SCHEMBL439615 0.71 NR4A2 (0.59) 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