SCHEMBL28979591

SCHEMBL28979591

CONC(=O)Nc1ccc(-c2sc3c(c2CN(C)C)c(=O)n(-c2ccc(OC(F)F)nc2)c(=O)n3Cc2c(F)cccc2F)cc1

nearest known ligand 0.89

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 20/20 0.89
KCNH2 Q12809 13/20 0.81

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
SCHEMBL30461603 1.00 GNRHR (0.89) GNRHRKCNH2
SCHEMBL28979554 0.95 GNRHR (0.87) GNRHRKCNH2
SCHEMBL779928 0.94 GNRHR (1.00) GNRHRKCNH2
SCHEMBL30461573 0.93 GNRHR (0.88) GNRHRKCNH2
SCHEMBL28979553 0.93 GNRHR (0.88) GNRHRKCNH2
SCHEMBL30461588 0.91 GNRHR (0.89) GNRHRKCNH2
SCHEMBL28979541 0.91 GNRHR (0.89) GNRHRKCNH2
SCHEMBL28979550 0.90 GNRHR (0.88) GNRHRKCNH2
SCHEMBL30461565 0.90 GNRHR (1.00) GNRHRKCNH2
SCHEMBL28979562 0.90 GNRHR (1.00) GNRHRKCNH2

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
CN-113754679-B Substituted pyrimidinediones and their use 广东东阳光药业有限公司 2023-04-07 CN disclosed