SCHEMBL28948670

SCHEMBL28948670

NC(=O)C(C1CCCCC1)(C1CCCCC1)n1c(-c2ccc(CO)cc2)nc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.41
OGFRL1 Q5TC84 10/20 0.41
OPRD1 P41143 9/20 0.41
OPRK1 P41145 9/20 0.41
NR1H4 Q96RI1 6/20 0.39
GRM2 Q14416 2/20 0.39
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
OPRL1 P41146 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
SCHEMBL28819623 0.91 MCHR1 (0.44) OPRM1OGFRL1OPRD1OPRK1NR1H4
Hydrochloric Acid SCHEMBL28819554 0.88 OGFRL1 (0.45) OPRM1OGFRL1OPRD1OPRK1NR1H4
SCHEMBL28819591 0.85 MCHR1 (0.44) OPRM1OGFRL1OPRD1OPRK1NR1H4
SCHEMBL28819719 0.85 OGFRL1 (0.40) OPRM1OGFRL1OPRD1OPRK1NR1H4
SCHEMBL28819661 0.84 CHEK2 (0.48) OPRM1OGFRL1OPRD1OPRK1NR1H4
SCHEMBL28819495 0.84 MCHR1 (0.44) OPRM1OGFRL1OPRD1OPRK1NR1H4
SCHEMBL28819669 0.84 MCHR1 (0.43) OPRM1OGFRL1OPRD1OPRK1NR1H4
SCHEMBL28819743 0.84 OPRM1 (0.41) OPRM1OGFRL1OPRD1OPRK1NR1H4
Hydrochloric Acid SCHEMBL4208440 0.84 CA1 (0.50) OPRM1OGFRL1OPRD1OPRK1NR1H4
SCHEMBL28819704 0.84 NR1H4 (0.54) OPRM1OGFRL1OPRD1OPRK1NR1H4

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