SCHEMBL3400996

SCHEMBL3400996

CO[C@H]1CN(c2nc(-c3cn(C)cn3)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
SCHEMBL3406236 0.93 ABCC2 (0.48) ABCC2
SCHEMBL3403521 0.92 ABCC2 (0.62) ABCC2
SCHEMBL3403956 0.91 — —
SCHEMBL3405616 0.90 ABCC2 (0.51) ABCC2
SCHEMBL3400386 0.89 ABCC2 (0.55) ABCC2
SCHEMBL3403446 0.89 — —
SCHEMBL3406736 0.88 ABCC2 (0.55) ABCC2
SCHEMBL3434364 0.88 — —
SCHEMBL3402029 0.88 — —
SCHEMBL3407095 0.88 ABCC2 (0.52) 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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