SCHEMBL28495353

SCHEMBL28495353

CN(C)Cc1c(-c2ccc(N)cc2)sc2c1c(=O)n(-c1ccc(OCC(N)=O)nn1)c(=O)n2Cc1c(F)cccc1F

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 20/20 0.71
KCNH2 Q12809 13/20 0.71

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
SCHEMBL28487341 0.91 GNRHR (0.67) GNRHRKCNH2
SCHEMBL28492652 0.91 GNRHR (0.60) GNRHRKCNH2
SCHEMBL15639971 0.90 GNRHR (0.80) GNRHRKCNH2
SCHEMBL29384672 0.90 GNRHR (0.80) GNRHRKCNH2
SCHEMBL30461599 0.90 GNRHR (0.68) GNRHRKCNH2
Hydrochloric Acid SCHEMBL30174360 0.90 GNRHR (0.79) GNRHRKCNH2
SCHEMBL28494529 0.89 GNRHR (0.68) GNRHRKCNH2
SCHEMBL28491748 0.89 GNRHR (0.70) GNRHRKCNH2
SCHEMBL28495970 0.89 GNRHR (0.59) GNRHRKCNH2
SCHEMBL30401433 0.86 GNRHR (0.65) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112047957-B Substituted pyrimidinediones and their use 广东东阳光药业有限公司 2022-02-01 CN disclosed
CN-112047957-A Substituted pyrimidinediones and their use 广东东阳光药业有限公司 2020-12-08 CN disclosed