SCHEMBL16360171

SCHEMBL16360171

CN[C@H](c1nc(OCCCOC)c2ccccc2n1)N(C(=O)[C@H]1CNCCO1)C1CC1

nearest known ligand 0.82

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 20/20 0.82

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
SCHEMBL12523967 0.90 REN (1.00) REN
SCHEMBL16478454 0.90 REN (1.00) REN
SCHEMBL12523963 0.82 REN (0.72) REN
SCHEMBL17012932 0.79 REN (0.75) REN
SCHEMBL13131458 0.74 REN (0.74) REN
SCHEMBL13131856 0.73 REN (0.70) REN
SCHEMBL13131857 0.73 REN (0.69) REN
SCHEMBL17013675 0.72 REN (0.64) REN
SCHEMBL16360452 0.72 REN (0.68) REN
SCHEMBL12526906 0.72 REN (0.68) REN

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
WO-2012124775-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND 田辺三菱製薬株式会社 (JP) 2012-09-20 — — WO disclosed
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