SCHEMBL28819696

SCHEMBL28819696

Cc1cc(-c2nc3ccccc3n2C(C(N)=O)(C2CCCCC2)C2CCCCC2)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.41
OPRL1 P41146 3/20 0.41
OPRK1 P41145 5/20 0.39
OGFRL1 Q5TC84 5/20 0.39
OPRD1 P41143 4/20 0.39
BRD4 O60885 1/20 0.39
MCHR1 Q99705 1/20 0.39
GRIN2B Q13224 3/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
GRM5 P41594 1/20 0.37
PDE10A Q9Y233 1/20 0.37
NR1H4 Q96RI1 4/20 0.37

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
SCHEMBL28819511 0.92 OPRM1 (0.39) OPRM1OPRL1OPRK1OGFRL1OPRD1
SCHEMBL28819530 0.92 MCHR1 (0.44) OPRM1OPRL1OPRK1OGFRL1OPRD1
SCHEMBL28819625 0.91 OPRM1 (0.41) OPRM1OPRL1OPRK1OGFRL1OPRD1
SCHEMBL28819551 0.87 KDM4E (0.41) OPRM1OPRK1OGFRL1OPRD1MCHR1
SCHEMBL28819629 0.87 CYP3A4 (0.39) OPRM1OPRL1OPRK1OGFRL1OPRD1
SCHEMBL28819721 0.87 KDM4E (0.42) OPRM1OPRK1OGFRL1OPRD1BRD4
SCHEMBL28819567 0.86 HDAC1 (0.43) OPRM1OPRL1OPRK1OGFRL1OPRD1
SCHEMBL28819538 0.86 OPRM1 (0.40) OPRM1OPRL1OPRK1OGFRL1OPRD1
SCHEMBL16569242 0.86 HDAC1 (0.44) OPRM1OPRL1OPRK1OGFRL1OPRD1
SCHEMBL28819675 0.84 MCHR1 (0.44) OPRM1OPRL1OPRK1OGFRL1OPRD1

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