SCHEMBL26188279

SCHEMBL26188279

CC(C)Oc1ccc(C2CC[C@H](C)C2)c(C(=O)N2CCCC[C@@]2(C)c2nc3ncc(C(F)(F)F)cc3n2COC(=O)C(C)C)c1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.33
▸ HCRTR1 O43613 9/20 0.32
▸ HCRTR2 O43614 8/20 0.32
▸ SCN9A Q15858 1/20 0.31
▸ FFAR4 Q5NUL3 1/20 0.30

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
SCHEMBL26188281 0.94 CNR2 (0.34) CNR2HCRTR1HCRTR2SCN9AFFAR4
SCHEMBL26188174 0.93 CNR2 (0.35) CNR2HCRTR1HCRTR2SCN9A
SCHEMBL26188282 0.93 HCRTR1 (0.33) CNR2HCRTR1HCRTR2SCN9A
SCHEMBL26188168 0.84 HCRTR1 (0.35) CNR2HCRTR1HCRTR2
SCHEMBL26188173 0.84 HCRTR1 (0.37) CNR2HCRTR1HCRTR2
SCHEMBL26188171 0.84 HCRTR1 (0.34) CNR2HCRTR1HCRTR2
SCHEMBL26188194 0.83 HCRTR1 (0.36) CNR2HCRTR1HCRTR2
SCHEMBL26188189 0.82 HCRTR1 (0.34) CNR2HCRTR1HCRTR2
SCHEMBL26188172 0.82 HCRTR1 (0.33) CNR2HCRTR1HCRTR2FFAR4
SCHEMBL26188207 0.79 HCRTR1 (0.35) CNR2HCRTR1HCRTR2

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
WO-2023160004-A1 FUSED-RING COMPOUND HAVING ANALGESIC ACTIVITY, AND PREPARATION METHOD THEREFOR AND USE THEREOF 南京知和医药科技有限公司 2023-08-31 — — WO disclosed
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