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Sugi Predict / Compounds / SCHEMBL5758037

SCHEMBL5758037

SCHEMBL5758037

COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@@H](N)c3ccccc3)c2=O)c1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GNRHR P30968 20/20 1.00
▸ CYP3A4 P08684 2/20 1.00

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
SCHEMBL5758028 1.00 GNRHR (1.00) GNRHRCYP3A4
SCHEMBL5758034 1.00 GNRHR (1.00) GNRHRCYP3A4
SCHEMBL30299007 1.00 GNRHR (1.00) GNRHRCYP3A4
SCHEMBL12727256 0.95 GNRHR (0.91) GNRHRCYP3A4
SCHEMBL14293693 0.93 GNRHR (0.87) GNRHRCYP3A4
SCHEMBL1643199 0.92 GNRHR (1.00) GNRHRCYP3A4
SCHEMBL1643200 0.92 GNRHR (1.00) GNRHRCYP3A4
SCHEMBL29799847 0.92 GNRHR (1.00) GNRHRCYP3A4
SCHEMBL1643197 0.92 GNRHR (1.00) GNRHRCYP3A4
SCHEMBL14612297 0.92 GNRHR (0.85) GNRHRCYP3A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660091-A1 PYRIMIDINE-2,4-DIONE DERIVATIVES AS GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 2006-05-31 — — EP disclosed
EP-1646389-A1 PYRIMIDINE-2,4-DIONE DERIVATIVES AS GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 2006-04-19 — — EP disclosed
WO-2005007165-A1 PYRIMIDINE-2, 4-DIONE DERIVATIVES AS GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 2005-01-27 — — WO disclosed
WO-2005007164-A1 PYRIMIDINE-2,4-DIONE DERIVATIVES AS GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 2005-01-27 — — WO disclosed