SCHEMBL5139930

SCHEMBL5139930

COC(=O)c1csc(N2CCCC(NC(=O)c3[nH]c(C)c(Cl)c3Cl)CC2)n1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ABCC2 Q92887 1/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.45

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
SCHEMBL3281679 0.88 LMNA (0.44) ABCC2
SCHEMBL3281122 0.87 ABCC2 (0.46) ABCC2
SCHEMBL3281403 0.87 — —
SCHEMBL3281455 0.83 — —
SCHEMBL3281460 0.83 — —
SCHEMBL3289145 0.83 — —
SCHEMBL5139588 0.82 ABCC2 (0.63) ABCC2
SCHEMBL5223006 0.81 ABCC2 (0.46) ABCC2
SCHEMBL5140248 0.81 ABCC2 (0.51) ABCC2
SCHEMBL3281611 0.80 — —

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
WO-2008020227-A2 ANTIBACTERIAL PYRROLECARBOXAMIDES ASTRAZENECA AB (SE) 2008-02-21 — — WO claimed
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