SCHEMBL3406582

SCHEMBL3406582

COC(=O)Oc1sc(N2CC[C@@H](NC(=O)c3[nH]c(C)c(Cl)c3Cl)[C@@H](OC)C2)nc1-c1cn(C)nn1

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ABCC2 Q92887 1/20 0.57

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
SCHEMBL3399634 0.95 ABCC2 (0.60) ABCC2
SCHEMBL3402486 0.92 — —
SCHEMBL3403881 0.92 — —
SCHEMBL3400621 0.89 — —
SCHEMBL3399630 0.89 — —
SCHEMBL3405616 0.87 ABCC2 (0.51) ABCC2
SCHEMBL3405489 0.86 ABCC2 (0.58) ABCC2
SCHEMBL3405631 0.86 ABCC2 (0.61) ABCC2
SCHEMBL3402341 0.86 — —
SCHEMBL3405661 0.85 — —

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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