SCHEMBL28044008

SCHEMBL28044008

CCCCOC(=O)NC(C)CCC(=O)N(C)C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.45
HRH4 Q9H3N8 4/20 0.45
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 2/20 0.40
HPGD P15428 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
MCL1 Q07820 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39

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
SCHEMBL288502 0.83 HRH3 (0.48) HRH3HRH4NPC1HPGDRAB9A
SCHEMBL26626453 0.83 HRH3 (0.48) HRH3HRH4NPC1HPGDRAB9A
SCHEMBL283254 0.83 HRH3 (0.48) HRH3HRH4NPC1HPGDRAB9A
SCHEMBL28044074 0.81 EPHX1 (0.47) HRH3HRH4NPC1HPGDRAB9A
SCHEMBL11533140 0.79 HRH3 (0.45) HRH3HRH4NPC1HPGDRAB9A
SCHEMBL21359154 0.78 HRH3 (0.49) HRH3HRH4NPC1HPGDRAB9A
SCHEMBL15757827 0.77 HRH3 (0.48) HRH3HRH4NPC1HPGDRAB9A
SCHEMBL1868926 0.76 EPHX1 (0.47) HRH3HRH4ALDH1A1NPC1HPGD
SCHEMBL15589935 0.76 EPHX1 (0.47) HRH3HRH4ALDH1A1NPC1HPGD
SCHEMBL6988966 0.76 EPHX1 (0.47) HRH3HRH4ALDH1A1NPC1HPGD

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
CN-105189453-A Sulfamoyl-arylamides and the use thereof as medicaments for the treatment of hepatitis b JANSSEN R & D IRELAND 2015-12-23 CN disclosed