SCHEMBL6642419

SCHEMBL6642419

COCCN(C)Cc1c(-c2ccc(NC(=O)NOC)cc2)sc2c1c(=O)n(-c1ccccc1)c(=O)n2Cc1c(F)cccc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 20/20 1.00
KCNH2 Q12809 1/20 0.82

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
SCHEMBL778510 0.95 GNRHR (1.00) GNRHRKCNH2
SCHEMBL4052495 0.93 GNRHR (0.86) GNRHRKCNH2
SCHEMBL780206 0.92 GNRHR (0.85) GNRHRKCNH2
SCHEMBL779953 0.92 GNRHR (0.85) GNRHRKCNH2
Sufugolix SCHEMBL209021 0.92 GNRHR (1.00) GNRHR
SCHEMBL779375 0.92 GNRHR (0.84) GNRHRKCNH2
SCHEMBL4885456 0.92 GNRHR (0.86) GNRHRKCNH2
SCHEMBL780527 0.91 GNRHR (1.00) GNRHRKCNH2
Sufugolix SCHEMBL4251869 0.91 GNRHR (0.99) GNRHR
SCHEMBL779980 0.91 GNRHR (1.00) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1163244-B1 THIENOPYRIMIDINE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-03-10 EP disclosed
US-6340686-B1 GONADOTROPIN-RELEASING HORMONE ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-01-22 US disclosed
US-6297379-B1 GONADOTROPIN RELEASING HORMONE (GNRH, SOMETIMES CALLED LH-RH (LUTEINIZING HORMONE RELEASING HORMONE)) ANTAGONIZING ACTIVITY, TREATING SEX HORMONE-DEPENDENT DISEASES. TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-10-02 US disclosed