SCHEMBL3407095

SCHEMBL3407095

CO[C@H]1CN(c2nc(-c3ccncn3)c(OC(=O)O)s2)CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1C#N

nearest known ligand 0.71

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ABCC2 Q92887 1/20 0.52

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
SCHEMBL3403525 0.93 — —
SCHEMBL3403393 0.92 ABCC2 (0.61) ABCC2
SCHEMBL3403520 0.92 — —
SCHEMBL13993282 0.91 ABCC2 (0.53) ABCC2
SCHEMBL3400386 0.89 ABCC2 (0.55) ABCC2
SCHEMBL3406736 0.89 ABCC2 (0.55) ABCC2
SCHEMBL3403446 0.88 — —
SCHEMBL5007414 0.88 — —
SCHEMBL3400996 0.88 ABCC2 (0.52) ABCC2
SCHEMBL3406460 0.87 ABCC2 (0.53) ABCC2

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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