SCHEMBL4680261

SCHEMBL4680261

CCOC(=O)CCCN[C@H](Cn1c(=O)c(-c2ccccc2Cl)cn(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1

nearest known ligand 0.88

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 20/20 0.88
CYP3A4 P08684 12/20 0.88
ADRB2 P07550 1/20 0.55
APLNR P35414 1/20 0.55
OPRK1 P41145 1/20 0.55
GLP1R P43220 1/20 0.55
CX3CR1 P49238 1/20 0.55
FFAR4 Q5NUL3 1/20 0.55
GPR119 Q8TDV5 1/20 0.55

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
SCHEMBL4680257 1.00 GNRHR (0.88) GNRHRCYP3A4ADRB2APLNROPRK1
SCHEMBL1378902 0.92 GNRHR (1.00) GNRHRCYP3A4
SCHEMBL1378898 0.92 GNRHR (1.00) GNRHRCYP3A4
SCHEMBL4675846 0.85 GNRHR (0.85) GNRHRCYP3A4
SCHEMBL4675839 0.85 GNRHR (0.85) GNRHRCYP3A4
SCHEMBL4674695 0.84 GNRHR (0.87) GNRHRCYP3A4ADRB2APLNROPRK1
SCHEMBL4674691 0.84 GNRHR (0.87) GNRHRCYP3A4ADRB2APLNROPRK1
SCHEMBL2703136 0.82 GNRHR (0.73) GNRHRCYP3A4
SCHEMBL1378029 0.82 GNRHR (1.00) GNRHRCYP3A4ADRB2APLNROPRK1
SCHEMBL1378026 0.82 GNRHR (1.00) 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
EP-1646389-B1 PYRIMIDINE-2,4-DIONE DERIVATIVES AS GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES INC (US) 2008-09-10 EP disclosed