SCHEMBL439885

SCHEMBL439885

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
MCHR1 Q99705 11/20 0.41
NR4A2 P43354 2/20 0.41
PPARA Q07869 1/20 0.39
ASIC3 Q9UHC3 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
PDPK1 O15530 1/20 0.38
BACE1 P56817 1/20 0.36
NPC1 O15118 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
SCHEMBL438225 0.87 MCHR1 (0.42) NOS3NOS1NOS2MCHR1NR4A2
SCHEMBL440069 0.82 NOS2 (0.41) NOS3NOS1NOS2MCHR1ASIC3
SCHEMBL439825 0.81 NR4A2 (0.60) NOS3NOS1NOS2MCHR1NR4A2
SCHEMBL439579 0.78 NR4A2 (0.65) NR4A2PPARANPSR1RXFP1PDPK1
SCHEMBL438834 0.78 NOS2 (0.50) NOS3NOS1NOS2MCHR1NR4A2
SCHEMBL436991 0.77 NOS3 (0.41) NOS3NOS1NOS2MCHR1NR4A2
SCHEMBL439849 0.77 POLB (0.43) NOS3NOS1NOS2MCHR1ASIC3
SCHEMBL439708 0.76 MCHR1 (0.43) NOS3NOS1NOS2MCHR1NR4A2
SCHEMBL436015 0.75 NOS3 (0.39) NOS3NOS1NOS2MCHR1ASIC3
SCHEMBL438887 0.75 MCHR1 (0.44) NOS3NOS1NOS2MCHR1ASIC3

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