SCHEMBL3405616

SCHEMBL3405616

CO[C@H]1CN(c2nc(-c3cn(C)nn3)c(OC(=O)O)s2)CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1C#N

nearest known ligand 0.56

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
SCHEMBL3402486 0.95 — —
SCHEMBL3399634 0.92 ABCC2 (0.60) ABCC2
SCHEMBL3399838 0.91 — —
SCHEMBL3813732 0.91 — —
SCHEMBL3402336 0.91 — —
SCHEMBL3403446 0.90 — —
SCHEMBL3400996 0.90 ABCC2 (0.52) ABCC2
SCHEMBL3400386 0.88 ABCC2 (0.55) ABCC2
SCHEMBL3406582 0.87 ABCC2 (0.57) ABCC2
SCHEMBL3406736 0.86 ABCC2 (0.55) 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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