SCHEMBL12526796

SCHEMBL12526796

C=C(OC(C)(C)C)N1CCO[C@@H](C(=O)N(C2CC2)[C@H](C)c2n[nH]c3ccccc23)C1

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 20/20 0.42

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
SCHEMBL15435779 0.92 REN (0.41) REN
SCHEMBL12526795 0.77 REN (0.48) REN
SCHEMBL15417888 0.75 REN (0.47) REN
SCHEMBL16459588 0.74 REN (0.48) REN
SCHEMBL15435778 0.74 REN (0.48) REN
SCHEMBL16471525 0.73 REN (0.47) REN
SCHEMBL16360453 0.72 REN (0.44) REN
SCHEMBL16471569 0.72 REN (0.44) REN
SCHEMBL16471560 0.72 REN (0.68) REN
SCHEMBL16471562 0.72 REN (0.69) 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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