SCHEMBL11816145

SCHEMBL11816145

CCCCCC(C)C(C)c1cc(OC(=O)CCCN2CCCCC2)c2c(c1)OC(C)(C)C1=C2CC(C)CC1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 4/20 0.44
▸ CNR2 P34972 4/20 0.44
▸ MEN1 O00255 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
Nabazenil SCHEMBL636000 1.00 CNR1 (0.44) CNR1CNR2MEN1GAAKMT2A
Nabazenil SCHEMBL29457693 1.00 CNR1 (0.44) CNR1CNR2MEN1GAAKMT2A
Nabazenil SCHEMBL635999 1.00 CNR1 (0.44) CNR1CNR2MEN1GAAKMT2A
Hydrochloric Acid SCHEMBL11739184 0.99 CNR1 (0.43) CNR1CNR2MEN1GAAKMT2A
Nabazenil SCHEMBL11696365 0.99 CNR1 (0.43) CNR1CNR2MEN1GAAKMT2A
SCHEMBL11808559 0.94 CNR1 (0.43) CNR1CNR2MEN1GAAKMT2A
SCHEMBL11815877 0.93 CNR1 (0.43) CNR1CNR2MEN1GAAKMT2A
Bromide SCHEMBL11736990 0.93 CNR1 (0.43) CNR1CNR2MEN1GAAKMT2A
SCHEMBL11817527 0.90 CNR2 (0.34) CNR1CNR2
SCHEMBL11811080 0.90 CNR2 (0.34) CNR1CNR2

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-3941782-A Heterocyclic esters of benzopyrans SHARPS ASSOCIATES (US) 1976-03-02 — — US claimed
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