SCHEMBL28487183

SCHEMBL28487183

CN(C)Cc1c(-c2ccc(N)cc2)sc2c1c(=O)n(-c1ccc(OCC#N)nc1)c(=O)n2Cc1c(F)cccc1F

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 20/20 0.67
KCNH2 Q12809 7/20 0.54

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
SCHEMBL28503222 0.91 GNRHR (0.74) GNRHRKCNH2
SCHEMBL30461648 0.91 GNRHR (0.68) GNRHRKCNH2
SCHEMBL28491748 0.89 GNRHR (0.70) GNRHRKCNH2
SCHEMBL28494529 0.88 GNRHR (0.68) GNRHRKCNH2
SCHEMBL30402172 0.87 GNRHR (0.63) GNRHRKCNH2
SCHEMBL29519041 0.86 GNRHR (0.64) GNRHRKCNH2
SCHEMBL28495704 0.85 GNRHR (0.57) GNRHRKCNH2
SCHEMBL30486959 0.84 GNRHR (0.64) GNRHRKCNH2
SCHEMBL29492210 0.84 GNRHR (0.63) GNRHRKCNH2
SCHEMBL29967046 0.84 GNRHR (0.75) 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