SCHEMBL21132899

SCHEMBL21132899

CNC(Cn1c(=O)c(-c2cccc(OC)c2F)c(C)n(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1

nearest known ligand 0.86

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 20/20 0.86
CYP3A4 P08684 12/20 0.83
ADRB2 P07550 1/20 0.76
APLNR P35414 1/20 0.76
OPRK1 P41145 1/20 0.76
GLP1R P43220 1/20 0.76
CX3CR1 P49238 1/20 0.76
FFAR4 Q5NUL3 1/20 0.76
GPR119 Q8TDV5 1/20 0.76

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
SCHEMBL23193840 1.00 GNRHR (0.86) GNRHRCYP3A4ADRB2APLNROPRK1
SCHEMBL21694890 0.93 GNRHR (0.82) GNRHRCYP3A4ADRB2APLNROPRK1
SCHEMBL30153581 0.93 GNRHR (0.84) GNRHRCYP3A4ADRB2APLNROPRK1
SCHEMBL1653132 0.92 GNRHR (0.84) GNRHRCYP3A4ADRB2APLNROPRK1
SCHEMBL20547884 0.92 GNRHR (0.86) GNRHRCYP3A4ADRB2APLNROPRK1
SCHEMBL20547883 0.92 GNRHR (0.86) GNRHRCYP3A4ADRB2APLNROPRK1
SCHEMBL21694889 0.92 GNRHR (0.80) GNRHRCYP3A4ADRB2APLNROPRK1
SCHEMBL21694888 0.91 GNRHR (0.84) GNRHRCYP3A4ADRB2APLNROPRK1
SCHEMBL2701302 0.90 GNRHR (0.82) GNRHRCYP3A4ADRB2APLNROPRK1
SCHEMBL22487833 0.90 GNRHR (0.83) 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
WO-2019115019-A1 PROCESS FOR PREPARING ELAGOLIX SYNTHON B.V. (NL) 2019-06-20 WO disclosed