SCHEMBL11638868

SCHEMBL11638868

CC(c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(C#N)CC1)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 5/20 0.39
▸ CNR1 P21554 4/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL11636849 0.81 CNR2 (0.37) CNR2CNR1MEN1GAAKMT2A
SCHEMBL11334790 0.78 CNR2 (0.42) CNR2CNR1MEN1GAAKMT2A
SCHEMBL11730569 0.75 CNR2 (0.39) CNR2CNR1MEN1GAAKMT2A
SCHEMBL11636529 0.72 CNR2 (0.65) CNR2CNR1
SCHEMBL11642448 0.72 CNR2 (0.67) CNR2CNR1
SCHEMBL11641839 0.66 — —
SCHEMBL11322021 0.66 CNR2 (0.37) CNR2CNR1
SCHEMBL11638949 0.66 CNR2 (0.34) CNR2CNR1
SCHEMBL11557008 0.64 — —
SCHEMBL11712333 0.64 CNR2 (0.55) 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-4096265-A HYPOTENSIVE AGENTS SHARPS ASSOCIATES (US) 1978-06-20 — — US disclosed
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