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SCHEMBL14747828

SCHEMBL14747828

CNC(=O)Nc1ccc(-c2sc3c(c2CN(C)CCN(C)S(C)(=O)=O)c(=O)n(-c2ccc(F)cc2)c(=O)n3Cc2c(F)cccc2F)cc1

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GNRHR P30968 20/20 0.79
▸ KCNH2 Q12809 1/20 0.61

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
SCHEMBL13721652 0.93 GNRHR (0.77) GNRHRKCNH2
SCHEMBL805011 0.93 GNRHR (0.91) GNRHRKCNH2
SCHEMBL4061892 0.89 GNRHR (0.84) GNRHR
SCHEMBL13721625 0.85 GNRHR (0.74) GNRHR
SCHEMBL13722062 0.85 GNRHR (0.73) GNRHRKCNH2
SCHEMBL4255023 0.84 GNRHR (1.00) GNRHR
SCHEMBL13721632 0.83 GNRHR (0.75) GNRHR
SCHEMBL4054247 0.83 GNRHR (0.79) GNRHRKCNH2
SCHEMBL804980 0.83 GNRHR (0.85) GNRHRKCNH2
SCHEMBL4062593 0.82 GNRHR (0.74) GNRHR

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