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Elagolix

Elagolix

SCHEMBL4995673

COc1cccc(-c2c(C)n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](NCCCC(=O)O)c3ccccc3)c2=O)c1Cl.COc1cccc(-c2c(C)n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](NCCCC(=O)O)c3ccccc3)c2=O)c1F

nearest known ligand 0.92

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GNRHR

The experimentally established mechanism targets of Elagolix. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GNRHR known ✓ P30968 20/20 0.92
▸ CYP3A4 P08684 14/20 0.89
▸ ADRB2 P07550 1/20 0.82
▸ APLNR P35414 1/20 0.82
▸ OPRK1 P41145 1/20 0.82
▸ GLP1R P43220 1/20 0.82
▸ CX3CR1 P49238 1/20 0.82
▸ FFAR4 Q5NUL3 1/20 0.82
▸ GPR119 Q8TDV5 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
SCHEMBL5002181 0.97 GNRHR (0.87) GNRHRCYP3A4ADRB2APLNROPRK1
SCHEMBL1643488 0.97 GNRHR (0.87) GNRHRCYP3A4ADRB2APLNROPRK1
SCHEMBL1643222 0.97 GNRHR (0.86) GNRHRCYP3A4ADRB2APLNROPRK1
SCHEMBL1643218 0.97 GNRHR (0.86) GNRHRCYP3A4ADRB2APLNROPRK1
Elagolix SCHEMBL29365599 0.96 GNRHR (1.00) GNRHRCYP3A4ADRB2APLNROPRK1
Elagolix SCHEMBL4677617 0.96 GNRHR (1.00) GNRHRCYP3A4ADRB2APLNROPRK1
Elagolix SCHEMBL29396002 0.96 GNRHR (1.00) GNRHRCYP3A4ADRB2APLNROPRK1
Elagolix SCHEMBL19549512 0.96 GNRHR (1.00) GNRHRCYP3A4ADRB2APLNROPRK1
Elagolix SCHEMBL1642523 0.96 GNRHR (1.00) GNRHRCYP3A4ADRB2APLNROPRK1
Elagolix SCHEMBL1641993 0.95 GNRHR (0.99) GNRHRCYP3A4ADRB2APLNROPRK1

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
US-7419983-B2 e.g. 3-[{hydroxycarbonylpropyl-amino}-2-phenylethyl]-5-(2-fluoro-3-methoxyphenyl)-1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methylpyrimidine-2,4(1H,3H)-dione; sex-hormone related diseases; anticarcinogenic agent; endometriosis, uterine fibroids, polycystic ovarian disease NEUROCRINE BIOSCIENCES, INC. (US) 2008-09-02 — — US claimed