SCHEMBL28819675

SCHEMBL28819675

NC(=O)C(C1CCCCC1)(C1CCCCC1)n1c(-c2ccc(Cl)c(Cl)c2)nc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.44
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
MAPK10 P53779 2/20 0.41
OPRM1 P35372 4/20 0.40
OPRD1 P41143 2/20 0.40
OPRK1 P41145 2/20 0.40
OGFRL1 Q5TC84 2/20 0.40
NR1H4 Q96RI1 6/20 0.40
OPRL1 P41146 3/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MAP3K14 Q99558 2/20 0.39
PDE4B Q07343 1/20 0.38

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
SCHEMBL28819625 0.87 OPRM1 (0.41) OPRM1OPRD1OPRK1OGFRL1OPRL1
SCHEMBL28819495 0.86 MCHR1 (0.44) MCHR1OPRM1OPRD1OPRK1OGFRL1
SCHEMBL28819530 0.86 MCHR1 (0.44) MCHR1OPRM1OPRD1OPRK1OGFRL1
SCHEMBL16569242 0.85 HDAC1 (0.44) OPRM1OPRD1OPRK1OGFRL1OPRL1
Hydrochloric Acid SCHEMBL28819554 0.85 OGFRL1 (0.45) POLBOPRM1OPRD1OPRK1OGFRL1
SCHEMBL28819639 0.85 PDE2A (0.41) MCHR1OPRM1OPRD1OPRK1OGFRL1
SCHEMBL28819601 0.85 NR1H4 (0.46) MAPK10NR1H4MAP3K14
SCHEMBL28819696 0.84 OPRM1 (0.41) MCHR1OPRM1OPRD1OPRK1OGFRL1
SCHEMBL28948675 0.84 KDM4E (0.48)
SCHEMBL28819567 0.84 HDAC1 (0.43) OPRM1OPRD1OPRK1OGFRL1OPRL1

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-110404073-B Methods and pharmaceutical compositions for treating hepatitis B virus infection 国家医疗保健研究所 2022-08-16 CN disclosed