SCHEMBL3404858

SCHEMBL3404858

COC(=O)Oc1sc(N2CC[C@@H](NC(=O)c3[nH]c(C)c(Cl)c3C#N)[C@@H](OC)C2)nc1-c1ncnn1C

nearest known ligand 0.67

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ABCC2 Q92887 1/20 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
SCHEMBL3406460 0.95 ABCC2 (0.53) ABCC2
SCHEMBL3403755 0.95 ABCC2 (0.51) ABCC2
SCHEMBL3400991 0.92 ABCC2 (0.60) ABCC2
SCHEMBL3403531 0.90 ABCC2 (0.53) ABCC2
SCHEMBL3401371 0.90 ABCC2 (0.54) ABCC2
SCHEMBL3399663 0.89 — —
SCHEMBL3796854 0.89 — —
SCHEMBL3406462 0.87 ABCC2 (0.63) ABCC2
SCHEMBL3402486 0.86 — —
SCHEMBL3406930 0.85 — —

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
EP-2158199-B1 PIPERIDINE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2010-11-17 — — EP claimed
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