SCHEMBL364421

SCHEMBL364421

CC(=O)[C@](c1ccc(C2CCNCC2)cc1)(c1ccnc(C)c1)c1ccc(Cl)cc1C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 2/20 0.38
IDO1 P14902 1/20 0.38
TLR9 Q9NR96 6/20 0.37
TLR7 Q9NYK1 6/20 0.37
TLR8 Q9NR97 5/20 0.37
MAPKAPK2 P49137 1/20 0.35
HTR2C P28335 2/20 0.34
ADRB3 P13945 1/20 0.34
ADRA2B P18089 1/20 0.34
DRD1 P21728 1/20 0.34
DRD5 P21918 1/20 0.34
ADRA1B P35368 1/20 0.34
P2RY14 Q15391 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL363321 0.89 TLR9 (0.36) PROKR1IDO1TLR9TLR7TLR8
SCHEMBL363070 0.85 ALDH1A1 (0.41) PROKR1IDO1TLR7TLR8
SCHEMBL364634 0.82 PROKR1 (0.35) PROKR1IDO1
SCHEMBL362712 0.81 SORT1 (0.34) PROKR1IDO1
SCHEMBL363084 0.81 SORT1 (0.34) PROKR1IDO1
SCHEMBL364587 0.81 SORT1 (0.34) PROKR1IDO1
SCHEMBL365757 0.81 CDC7 (0.35) PROKR1MAPKAPK2
SCHEMBL363150 0.80 TLR9 (0.36) PROKR1IDO1TLR9TLR7TLR8
SCHEMBL363457 0.78 CCR9 (0.38) PROKR1
SCHEMBL364745 0.77 MAPK1 (0.34) PROKR1TLR9TLR7TLR8P2RY14

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