SCHEMBL3402359

SCHEMBL3402359

Cc1[nH]c(C(=O)N[C@@H]2CCN(c3nc(-c4cnccn4)c(OC(=O)O)s3)C[C@@H]2F)c(C#N)c1Cl

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ABCC2 Q92887 1/20 0.43

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
SCHEMBL3405402 0.93 — —
SCHEMBL3402715 0.91 ABCC2 (0.46) ABCC2
SCHEMBL3404086 0.91 — —
SCHEMBL3404569 0.88 — —
SCHEMBL3404843 0.85 ABCC2 (0.47) ABCC2
SCHEMBL3402345 0.84 — —
SCHEMBL3401114 0.83 ABCC2 (0.52) ABCC2
SCHEMBL3400386 0.83 ABCC2 (0.55) ABCC2
SCHEMBL509713 0.83 — —
SCHEMBL3402357 0.83 ABCC2 (0.64) 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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