SCHEMBL3400580

SCHEMBL3400580

CNc1nc(-c2nc(N3CC[C@@H](NC(=O)c4[nH]c(C)c(Cl)c4Cl)[C@@H](OC)C3)sc2OC(=O)OC)cs1

nearest known ligand 0.67

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ABCC2 Q92887 1/20 0.58

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
SCHEMBL3402612 0.95 ABCC2 (0.61) ABCC2
SCHEMBL3399810 0.92 ABCC2 (0.48) ABCC2
SCHEMBL3405489 0.92 ABCC2 (0.58) ABCC2
SCHEMBL3399656 0.90 ABCC2 (0.56) ABCC2
SCHEMBL3399965 0.89 — —
SCHEMBL3402890 0.89 ABCC2 (0.62) ABCC2
SCHEMBL3399655 0.86 ABCC2 (0.61) ABCC2
SCHEMBL3404695 0.86 ABCC2 (0.49) ABCC2
SCHEMBL3406582 0.85 ABCC2 (0.57) ABCC2
SCHEMBL3400518 0.85 ABCC2 (0.58) 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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