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SCHEMBL6645334

SCHEMBL6645334

CCNC(=O)Nc1ccc(-c2sc3c(c2CN(C)CCOC)c(=O)n(-c2ccc(C(=O)O)cc2)c(=O)n3Cc2c(F)cccc2F)cc1

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GNRHR P30968 20/20 0.78
▸ KCNH2 Q12809 1/20 0.67

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
SCHEMBL4052408 0.96 GNRHR (0.81) GNRHRKCNH2
SCHEMBL13721938 0.95 GNRHR (0.76) GNRHRKCNH2
SCHEMBL4061793 0.95 GNRHR (0.76) GNRHRKCNH2
SCHEMBL4052495 0.95 GNRHR (0.86) GNRHRKCNH2
SCHEMBL13722122 0.94 GNRHR (0.77) GNRHRKCNH2
SCHEMBL4054936 0.94 GNRHR (0.75) GNRHRKCNH2
SCHEMBL4054247 0.94 GNRHR (0.79) GNRHRKCNH2
SCHEMBL13722346 0.94 GNRHR (0.78) GNRHRKCNH2
SCHEMBL4057278 0.94 GNRHR (0.78) GNRHRKCNH2
SCHEMBL13721940 0.93 GNRHR (0.73) 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-1479684-A1 THIENOPYRIMIDINES, PROCESS FOR PREPARING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-11-24 — — EP disclosed