SCHEMBL3404817

SCHEMBL3404817

CO[C@H]1CN(c2nc(-c3ccccn3)c(OC(=O)O)s2)CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl

nearest known ligand 0.83

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ABCC2 Q92887 1/20 0.62

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
SCHEMBL3404663 0.93 — —
SCHEMBL3404674 0.91 ABCC2 (0.65) ABCC2
SCHEMBL3403393 0.91 ABCC2 (0.61) ABCC2
SCHEMBL3399987 0.91 — —
SCHEMBL3400614 0.91 — —
SCHEMBL3402357 0.90 ABCC2 (0.64) ABCC2
SCHEMBL3399939 0.90 — —
SCHEMBL3403880 0.89 — —
SCHEMBL3406343 0.89 ABCC2 (0.60) ABCC2
SCHEMBL3407092 0.88 ABCC2 (0.66) 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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