SCHEMBL363150

SCHEMBL363150

Cc1cc([C@@](CC=O)(c2ccc(C3CCNCC3)cc2)c2ccc(Cl)cc2C)ccn1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 9/20 0.36
TLR7 Q9NYK1 9/20 0.36
TLR8 Q9NR97 8/20 0.36
HTR2C P28335 2/20 0.34
HTR6 P50406 2/20 0.34
HTR1A P08908 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
PROKR1 Q8TCW9 1/20 0.33
IDO1 P14902 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
HTR3A P46098 1/20 0.32

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
SCHEMBL365450 0.86 WNT3A (0.43) TLR9TLR7TLR8PROKR1
SCHEMBL363251 0.82 KCNH2 (0.33)
SCHEMBL370939 0.82 KCNH2 (0.33)
SCHEMBL370168 0.82 CYP19A1 (0.33) PROKR1MAPKAPK2
SCHEMBL364421 0.80 PROKR1 (0.38) TLR9TLR7TLR8HTR2CPROKR1
SCHEMBL364583 0.78 TLR9 (0.38) TLR9TLR7TLR8HTR2CHTR1A
SCHEMBL364904 0.77 TLR8 (0.38) TLR7TLR8PROKR1
SCHEMBL363321 0.77 TLR9 (0.36) TLR9TLR7TLR8HTR2CHTR6
SCHEMBL364546 0.73 MEN1 (0.31) PROKR1
SCHEMBL363467 0.73 MEN1 (0.31) PROKR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed