SCHEMBL26188171

SCHEMBL26188171

CC(C)Oc1ccc(C2CCCC2)c(C(=O)N2CCCC[C@@]2(C)c2nc3ncc(O)cc3n2COC(=O)C(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 17/20 0.34
▸ HCRTR2 O43614 17/20 0.34
▸ CNR2 P34972 2/20 0.32
▸ ABL1 P00519 1/20 0.31

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
SCHEMBL26188168 0.92 HCRTR1 (0.35) HCRTR1HCRTR2CNR2
SCHEMBL26188173 0.92 HCRTR1 (0.37) HCRTR1HCRTR2CNR2
SCHEMBL26188194 0.91 HCRTR1 (0.36) HCRTR1HCRTR2CNR2
SCHEMBL26188174 0.91 CNR2 (0.35) HCRTR1HCRTR2CNR2
SCHEMBL26188172 0.91 HCRTR1 (0.33) HCRTR1HCRTR2CNR2
SCHEMBL26188189 0.87 HCRTR1 (0.34) HCRTR1HCRTR2CNR2
SCHEMBL26188207 0.86 HCRTR1 (0.35) HCRTR1HCRTR2CNR2
SCHEMBL26188170 0.86 CNR2 (0.33) HCRTR1HCRTR2CNR2ABL1
SCHEMBL26188208 0.86 HCRTR1 (0.35) HCRTR1HCRTR2CNR2
SCHEMBL26188184 0.84 HCRTR1 (0.42) HCRTR1HCRTR2

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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