SCHEMBL11792856

SCHEMBL11792856

CCCCCC(C)CCc1cc(OC(=O)CCCN2CCOCC2)c2c(c1)OC(C)(C)C1=C2SCC1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 8/20 0.39
▸ CNR1 P21554 7/20 0.39
▸ THRB P10828 3/20 0.33
▸ THRA P10827 1/20 0.33

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
SCHEMBL11870937 0.90 CNR2 (0.39) CNR2CNR1
SCHEMBL11796076 0.89 CNR2 (0.37) CNR2CNR1THRBTHRA
SCHEMBL11797149 0.89 CNR2 (0.39) CNR2CNR1
Hydrochloric Acid SCHEMBL11733906 0.89 CNR2 (0.36) CNR2CNR1THRBTHRA
SCHEMBL11816771 0.87 CNR2 (0.40) CNR2CNR1THRBTHRA
SCHEMBL11792851 0.86 CNR1 (0.33) CNR2CNR1THRB
Hydrochloric Acid SCHEMBL11817382 0.86 CNR2 (0.40) CNR2CNR1THRBTHRA
Hydrochloric Acid SCHEMBL11794134 0.86 CNR2 (0.38) CNR2CNR1THRBTHRA
Hydrochloric Acid SCHEMBL11796641 0.85 CNR2 (0.35) CNR2CNR1THRBTHRA
Hydrochloric Acid SCHEMBL11870307 0.85 CNR2 (0.43) CNR2CNR1

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-3972880-A TRANQUILIZER SHARPS ASSOCIATES (US) 1976-08-03 — — US claimed
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