SCHEMBL28819657

SCHEMBL28819657

NC(=O)C(C1CCCCC1)(C1CCCCC1)n1c(-c2cc(F)c(F)cc2F)nc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 17/20 0.39
OPRK1 P41145 17/20 0.39
OGFRL1 Q5TC84 17/20 0.39
OPRD1 P41143 14/20 0.39
OPRL1 P41146 3/20 0.37
DPP4 P27487 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PRKACA P17612 1/20 0.35
RPS6KB1 P23443 1/20 0.35
GSK3B P49841 1/20 0.35
ROCK1 Q13464 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
SCHEMBL28819662 0.90 OPRM1 (0.38) OPRM1OPRK1OGFRL1OPRD1OPRL1
SCHEMBL28819534 0.89 OPRM1 (0.41) OPRM1OPRK1OGFRL1OPRD1OPRL1
SCHEMBL28819684 0.88 OPRM1 (0.39) OPRM1OPRK1OGFRL1OPRD1OPRL1
SCHEMBL28819530 0.87 MCHR1 (0.44) OPRM1OPRK1OGFRL1OPRD1OPRL1
SCHEMBL28948662 0.87 OPRM1 (0.39) OPRM1OPRK1OGFRL1OPRD1OPRL1
SCHEMBL28819527 0.85 OPRM1 (0.41) OPRM1OPRK1OGFRL1OPRD1OPRL1
SCHEMBL28819538 0.84 OPRM1 (0.40) OPRM1OPRK1OGFRL1OPRD1OPRL1
SCHEMBL28819511 0.83 OPRM1 (0.39) OPRM1OPRK1OGFRL1OPRD1OPRL1
SCHEMBL28819597 0.82 OPRM1 (0.39) OPRM1OPRK1OGFRL1OPRD1OPRL1
Hydrochloric Acid SCHEMBL28819554 0.81 OGFRL1 (0.45) OPRM1OPRK1OGFRL1OPRD1OPRL1

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