SCHEMBL20547876

SCHEMBL20547876

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

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 20/20 0.78
CYP3A4 P08684 11/20 0.78
ADRB2 P07550 1/20 0.68
APLNR P35414 1/20 0.68
OPRK1 P41145 1/20 0.68
GLP1R P43220 1/20 0.68
CX3CR1 P49238 1/20 0.68
FFAR4 Q5NUL3 1/20 0.68
GPR119 Q8TDV5 1/20 0.68

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
SCHEMBL20547877 1.00 GNRHR (0.78) GNRHRCYP3A4ADRB2APLNROPRK1
SCHEMBL28421982 0.93 GNRHR (0.67) GNRHRCYP3A4ADRB2APLNROPRK1
SCHEMBL28419637 0.92 GNRHR (0.65) GNRHRCYP3A4ADRB2APLNROPRK1
SCHEMBL28814669 0.90 GNRHR (0.72) GNRHRCYP3A4ADRB2APLNROPRK1
SCHEMBL28418291 0.89 GNRHR (0.62) GNRHRCYP3A4
Oxalic Acid SCHEMBL29816324 0.88 GNRHR (0.94) GNRHRCYP3A4ADRB2APLNROPRK1
SCHEMBL28421910 0.88 GNRHR (0.61) GNRHRCYP3A4ADRB2APLNROPRK1
SCHEMBL1643200 0.88 GNRHR (1.00) GNRHRCYP3A4
SCHEMBL1643199 0.88 GNRHR (1.00) GNRHRCYP3A4
SCHEMBL1643197 0.88 GNRHR (1.00) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109810065-B Synthesis method of oxaagolide 安徽华胜医药科技有限公司 2022-07-15 CN claimed
CN-109810065-B Synthesis method of oxaagolide 安徽华胜医药科技有限公司 2022-07-15 CN disclosed
WO-2018198086-A1 PROCESS FOR THE PREPARATION OF ELAGOLIX AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF LUPIN LIMITED (IN) 2018-11-01 WO disclosed