SCHEMBL11680487

SCHEMBL11680487

CCCCCC(C)CCc1cc(OC(=O)CCCN2CCOCC2)c2c(c1)OC(C)(C)C1=C2C2CCN1CC2

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 5/20 0.39
▸ CNR1 P21554 4/20 0.39
▸ PSMB5 P28074 2/20 0.32
▸ THRB P10828 4/20 0.32
▸ THRA P10827 1/20 0.32

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
Hydrochloric Acid SCHEMBL11677294 0.99 CNR2 (0.39) CNR2CNR1PSMB5THRBTHRA
Hydrochloric Acid SCHEMBL11678033 0.93 CNR2 (0.39) CNR2CNR1
Hydrochloric Acid SCHEMBL11678716 0.92 CNR2 (0.38) CNR2CNR1
SCHEMBL11678811 0.86 CNR1 (0.34) CNR2CNR1THRBTHRA
Hydrochloric Acid SCHEMBL11677290 0.86 CNR1 (0.34) CNR2CNR1THRB
SCHEMBL11677068 0.85 CNR1 (0.36) CNR2CNR1PSMB5
SCHEMBL11681854 0.85 CNR1 (0.37) CNR2CNR1PSMB5
SCHEMBL11678770 0.84 CNR2 (0.44) CNR2CNR1THRBTHRA
Bromide SCHEMBL11678262 0.82 CNR1 (0.33) CNR2CNR1PSMB5THRBTHRA
SCHEMBL11816771 0.82 CNR2 (0.40) CNR2CNR1THRBTHRA

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
US-4020163-A Use of heterocyclic esters of 5H-[1]benzopyrano [3,4-b]pyridines as analgesics SHARPS ASSOCIATES (US) 1977-04-26 — — US claimed
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