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SCHEMBL29634925

SCHEMBL29634925

CN(C)Cc1c(-c2ccc([N+](=O)[O-])cc2)sc2c1c(=O)n(C1CCS(=O)(=O)CC1)c(=O)n2Cc1c(F)cccc1F

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GNRHR P30968 20/20 0.69
▸ KCNH2 Q12809 2/20 0.46

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
SCHEMBL29634892 0.91 GNRHR (0.56) GNRHR
SCHEMBL29634938 0.90 GNRHR (0.68) GNRHRKCNH2
SCHEMBL29634906 0.90 GNRHR (0.55) GNRHR
SCHEMBL29634916 0.89 GNRHR (0.60) GNRHRKCNH2
SCHEMBL29634887 0.81 GNRHR (0.54) GNRHR
SCHEMBL29634859 0.80 GNRHR (0.54) GNRHR
SCHEMBL29634913 0.79 GNRHR (0.58) GNRHRKCNH2
SCHEMBL29966967 0.79 GNRHR (0.76) GNRHRKCNH2
SCHEMBL17092964 0.78 GNRHR (0.74) GNRHRKCNH2
SCHEMBL29605045 0.78 GNRHR (0.74) 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-111875614-B Heterocyclyl-substituted thieno [2,3-d ] pyrimidine-2, 4(1H,3H) -diones and their use 东莞市东阳光新药研发有限公司 2022-04-29 — — CN disclosed