SCHEMBL439615

SCHEMBL439615

CCCc1cc(N)c2ccc(Cl)cc2n1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.59
MCHR1 Q99705 10/20 0.51
ASIC3 Q9UHC3 1/20 0.50
POLB P06746 1/20 0.46
SOS2 Q07890 1/20 0.46
OPRL1 P41146 1/20 0.42
KMT2A Q03164 1/20 0.41
TLR7 Q9NYK1 1/20 0.41

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 0.88 MCHR1 (0.60) MCHR1ASIC3OPRL1
SCHEMBL14697620 0.82 NR4A2 (0.53) NR4A2MCHR1ASIC3POLBSOS2
SCHEMBL439432 0.81 MCHR1 (0.49) MCHR1ASIC3
SCHEMBL437548 0.81 MCHR1 (0.49) MCHR1ASIC3
SCHEMBL438576 0.81 MCHR1 (0.49) MCHR1ASIC3
SCHEMBL441893 0.79 ACHE (0.44) MCHR1TLR7
SCHEMBL441586 0.79 KDM4E (0.60) MCHR1ASIC3TLR7
SCHEMBL439523 0.78 MCHR1 (0.57) MCHR1
SCHEMBL5818224 0.77 NR4A2 (0.48) NR4A2MCHR1ASIC3POLBSOS2
SCHEMBL441901 0.75 MCHR1 (0.43) MCHR1ASIC3POLBOPRL1

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