SCHEMBL439432

SCHEMBL439432

CCCc1cc(N)c2ccc(F)cc2n1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.49
KCNH2 Q12809 2/20 0.41
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
ASIC3 Q9UHC3 1/20 0.40

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
SCHEMBL437488 0.88 MCHR1 (0.58) MCHR1ASIC3
SCHEMBL437548 0.81 MCHR1 (0.49) MCHR1NOS3NOS1NOS2ASIC3
SCHEMBL439615 0.81 NR4A2 (0.59) MCHR1ASIC3
SCHEMBL439523 0.81 MCHR1 (0.57) MCHR1
SCHEMBL441893 0.79 ACHE (0.44) MCHR1KCNH2
SCHEMBL441586 0.79 KDM4E (0.60) MCHR1ASIC3
SCHEMBL441705 0.77 CTSS (0.45) MCHR1
SCHEMBL442339 0.75 NR4A2 (0.64)
SCHEMBL30682591 0.75 NR4A2 (0.64)
SCHEMBL438576 0.74 MCHR1 (0.49) MCHR1NOS3NOS1NOS2ASIC3

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