SCHEMBL3400386

SCHEMBL3400386

CO[C@H]1CN(c2nc(-c3cnc(C)cn3)c(OC(=O)O)s2)CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1C#N

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ABCC2 Q92887 1/20 0.55

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
SCHEMBL3402888 0.93 ABCC2 (0.51) ABCC2
SCHEMBL3407092 0.92 ABCC2 (0.66) ABCC2
SCHEMBL3400382 0.91 — —
SCHEMBL3400996 0.89 ABCC2 (0.52) ABCC2
SCHEMBL3406736 0.89 ABCC2 (0.55) ABCC2
SCHEMBL3407095 0.89 ABCC2 (0.52) ABCC2
SCHEMBL3403446 0.89 — —
SCHEMBL3405616 0.88 ABCC2 (0.51) ABCC2
SCHEMBL3406571 0.87 — —
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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