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SCHEMBL14735536

SCHEMBL14735536

CONC(=O)Nc1ccc(-c2sc3c(c2CN(C)CCN(C)[SH](=O)=O)c(=O)n(-c2ccccn2)c(=O)n3Cc2c(F)cccc2F)cc1

nearest known ligand 0.85

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GNRHR P30968 20/20 0.85
▸ KCNH2 Q12809 6/20 0.71

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
SCHEMBL780527 0.92 GNRHR (1.00) GNRHRKCNH2
SCHEMBL804980 0.91 GNRHR (0.85) GNRHRKCNH2
SCHEMBL778623 0.91 GNRHR (0.88) GNRHRKCNH2
SCHEMBL777759 0.91 GNRHR (0.87) GNRHRKCNH2
SCHEMBL779673 0.90 GNRHR (1.00) GNRHRKCNH2
SCHEMBL778402 0.90 GNRHR (0.85) GNRHRKCNH2
SCHEMBL778293 0.88 GNRHR (0.85) GNRHRKCNH2
SCHEMBL778278 0.87 GNRHR (0.79) GNRHRKCNH2
SCHEMBL4050993 0.86 GNRHR (0.88) GNRHRKCNH2
SCHEMBL780048 0.86 GNRHR (0.77) GNRHRKCNH2

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-1591446-B1 Thienopyrimidine compounds and use thereof TAKEDA PHARMACEUTICAL (JP) 2013-03-06 — — EP disclosed