SCHEMBL11798032

SCHEMBL11798032

CCCCCC(C)CCc1cc(OC(=O)CCCN2CCOCC2)c2c(c1)OC(C)(C)C1=C2CC(C)S1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 6/20 0.37
▸ CNR1 P21554 5/20 0.37
▸ THRB P10828 4/20 0.32
▸ THRA P10827 1/20 0.32
▸ PSMB5 P28074 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
Hydrochloric Acid SCHEMBL11792684 0.99 CNR2 (0.37) CNR2CNR1THRBTHRAPSMB5
SCHEMBL11796076 0.88 CNR2 (0.37) CNR2CNR1THRBTHRAPSMB5
Hydrochloric Acid SCHEMBL11733906 0.87 CNR2 (0.36) CNR2CNR1THRBTHRAPSMB5
SCHEMBL11798026 0.87 CNR1 (0.35) CNR2CNR1THRB
Hydrochloric Acid SCHEMBL11792676 0.86 CNR1 (0.35) CNR2CNR1THRB
Hydrochloric Acid SCHEMBL11796641 0.85 CNR2 (0.35) CNR2CNR1THRBTHRAPSMB5
Hydrochloric Acid SCHEMBL11794134 0.84 CNR2 (0.38) CNR2CNR1THRBTHRA
SCHEMBL11816771 0.84 CNR2 (0.40) CNR2CNR1THRBTHRA
Hydrochloric Acid SCHEMBL11817382 0.84 CNR2 (0.40) CNR2CNR1THRBTHRA
SCHEMBL11797149 0.83 CNR2 (0.39) 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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