SCHEMBL12525994

SCHEMBL12525994

C[C@H](c1cc2c(cn1)c(Cl)cn2CCCO)N(C(=O)[C@H]1CNCCO1)C1CC1

nearest known ligand 0.85

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 20/20 0.85

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
SCHEMBL12526885 0.92 REN (1.00) REN
SCHEMBL16471507 0.92 REN (1.00) REN
SCHEMBL16471517 0.83 REN (1.00) REN
SCHEMBL16471508 0.83 REN (1.00) REN
SCHEMBL16471513 0.83 REN (1.00) REN
SCHEMBL16471590 0.83 REN (0.85) REN
SCHEMBL17012935 0.83 REN (0.85) REN
SCHEMBL17012969 0.83 REN (0.85) REN
SCHEMBL16471591 0.83 REN (0.85) REN
SCHEMBL15599807 0.82 REN (0.84) 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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