SCHEMBL6824917

SCHEMBL6824917

CC(C)(CNC(=O)Nc1ccc(Cl)c2cccnc12)CC(=O)N(CC(=O)NO)CC1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
P2RX7 Q99572 1/20 0.35
HTR5A P47898 4/20 0.34
HDAC1 Q13547 2/20 0.34
PKM P14618 1/20 0.34
CHRM2 P08172 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRA2A P08913 1/20 0.33
CHRM1 P11229 1/20 0.33
ADRA2B P18089 1/20 0.33
CHRM3 P20309 1/20 0.33
DRD1 P21728 1/20 0.33
DRD5 P21918 1/20 0.33
HRH2 P25021 1/20 0.33
HTR1B P28222 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
DRD3 P35462 1/20 0.33
OPRK1 P41145 1/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL7065659 0.87 HDAC1 (0.47) HDAC1
SCHEMBL7064899 0.87 OPRM1 (0.39) GAANPC1RAB9ASLC6A9
SCHEMBL6825098 0.86 HDAC1 (0.47) HDAC1
SCHEMBL7069145 0.85 P2RX7 (0.44) KDM4EP2RX7
SCHEMBL6822311 0.84 NPC1 (0.40) HDAC1NPC1RAB9A
SCHEMBL6824912 0.82 KDM4E (0.35) KDM4EP2RX7HTR5AHDAC1PKM
SCHEMBL6825386 0.82 TP53 (0.38) GAARAB9A
SCHEMBL6825485 0.82 RAB9A (0.43) GAANPC1RAB9A
SCHEMBL6827642 0.82 NPC1 (0.38) NPC1RAB9AL3MBTL1
SCHEMBL6824982 0.81 RAB9A (0.41) NPC1RAB9A

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
WO-2004087643-A1 DEFORMYLASE INHIBITOR, PROCESS FOR PREPARING THE SAME, AND ANTIBACTERIAL COMPOSITION COMPRISING THE SAME PROMEDITECH INC. (KR) 2004-10-14 WO claimed
WO-2004087643-A1 DEFORMYLASE INHIBITOR, PROCESS FOR PREPARING THE SAME, AND ANTIBACTERIAL COMPOSITION COMPRISING THE SAME PROMEDITECH INC. (KR) 2004-10-14 WO disclosed