SCHEMBL6824912

SCHEMBL6824912

CC(C)(C)[C@H](NC(=O)Nc1ccc(Cl)c2cccnc12)C(=O)N(CC(=O)NO)CC1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
HTR5A P47898 4/20 0.35
CHRM2 P08172 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRA2A P08913 1/20 0.35
CHRM1 P11229 1/20 0.35
ADRA2B P18089 1/20 0.35
CHRM3 P20309 1/20 0.35
DRD1 P21728 1/20 0.35
DRD5 P21918 1/20 0.35
HRH2 P25021 1/20 0.35
HTR1B P28222 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
DRD3 P35462 1/20 0.35
OPRK1 P41145 1/20 0.35
HTR2B P41595 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL6923084 0.87 HDAC1 (0.46) HDAC1
SCHEMBL6922062 0.87 SMN1; SMN2 (0.38) KDM4ENPC1RAB9AGAAMMP2
SCHEMBL6825085 0.85 HDAC1 (0.46) HDAC1
SCHEMBL6922133 0.85 P2RX7 (0.45) KDM4EP2RX7
SCHEMBL6822309 0.83 TAS1R3 (0.47) NPC1RAB9AMMP2MMP3BMP1
SCHEMBL6824917 0.82 KDM4E (0.35) KDM4EHTR5ACHRM2ADRB1ADRA2A
SCHEMBL6825256 0.82 CYP2C19 (0.38) RAB9AGAA
SCHEMBL6824826 0.82 RAB9A (0.43) NPC1RAB9AGAA
SCHEMBL6825244 0.82 MEN1 (0.41) NPC1RAB9AMMP2MMP3BMP1
SCHEMBL6827632 0.82 TAS1R3 (0.44) NPC1RAB9AL3MBTL1MMP2MMP3

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