SCHEMBL28819623

SCHEMBL28819623

CCc1ccc(-c2nc3ccccc3n2C(C(N)=O)(C2CCCCC2)C2CCCCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.44
OGFRL1 Q5TC84 6/20 0.43
OPRM1 P35372 5/20 0.43
OPRK1 P41145 5/20 0.43
OPRD1 P41143 4/20 0.43
NR1H4 Q96RI1 5/20 0.41
PTAFR P25105 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DRD2 P14416 1/20 0.38
TBXA2R P21731 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL28948670 0.91 OPRM1 (0.41) OGFRL1OPRM1OPRK1OPRD1NR1H4
SCHEMBL28819719 0.88 OGFRL1 (0.40) OGFRL1OPRM1OPRK1OPRD1NR1H4
Hydrochloric Acid SCHEMBL28819554 0.87 OGFRL1 (0.45) OGFRL1OPRM1OPRK1OPRD1NR1H4
SCHEMBL28819495 0.86 MCHR1 (0.44) MCHR1OGFRL1OPRM1OPRK1OPRD1
SCHEMBL28819704 0.85 NR1H4 (0.54) OGFRL1OPRM1OPRK1OPRD1NR1H4
Hydrochloric Acid SCHEMBL4213341 0.85 CNR2 (0.49) MCHR1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL28819591 0.84 MCHR1 (0.44) MCHR1OGFRL1OPRM1OPRK1OPRD1
SCHEMBL28819560 0.84 OGFRL1 (0.40) OGFRL1OPRM1OPRK1OPRD1ALDH1A1
SCHEMBL28819625 0.84 OPRM1 (0.41) OGFRL1OPRM1OPRK1OPRD1ALDH1A1
Hydrochloric Acid SCHEMBL4213337 0.84 CNR2 (0.48) MCHR1ALDH1A1SMN1; SMN2MEN1KMT2A

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