SCHEMBL12526545

SCHEMBL12526545

C=C(NCCCc1cc(C(C)N(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)C2CC2)ccc1OC)OC

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 20/20 0.51

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
SCHEMBL15435812 0.93 REN (0.52) REN
SCHEMBL12526539 0.89 REN (0.56) REN
SCHEMBL16471571 0.88 REN (0.66) REN
SCHEMBL16471614 0.85 REN (0.49) REN
SCHEMBL16471531 0.84 REN (0.51) REN
SCHEMBL15418111 0.84 REN (0.56) REN
SCHEMBL12526536 0.81 REN (0.68) REN
SCHEMBL16471534 0.81 REN (0.65) REN
SCHEMBL16471621 0.80 REN (0.44) REN
SCHEMBL16471619 0.80 REN (0.57) 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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