SCHEMBL30401912

SCHEMBL30401912

CN(C)Cc1c(-c2ccc([N+](=O)[O-])cc2)sc2c1c(=O)n(-c1cccc(OCC3COC3)n1)c(=O)n2Cc1c(F)cccc1F

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 20/20 0.65
KCNH2 Q12809 7/20 0.50

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
SCHEMBL30401945 0.92 GNRHR (0.64) GNRHRKCNH2
SCHEMBL30402743 0.91 GNRHR (0.67) GNRHRKCNH2
SCHEMBL30402745 0.91 GNRHR (0.56) GNRHRKCNH2
SCHEMBL30402181 0.90 GNRHR (0.69) GNRHRKCNH2
SCHEMBL30402053 0.89 GNRHR (0.64) GNRHRKCNH2
SCHEMBL30461590 0.88 GNRHR (0.70) GNRHRKCNH2
SCHEMBL24333566 0.88 GNRHR (0.58) GNRHRKCNH2
SCHEMBL30461677 0.87 GNRHR (0.69) GNRHRKCNH2
SCHEMBL28496377 0.87 GNRHR (0.70) GNRHRKCNH2
SCHEMBL28491791 0.86 GNRHR (0.68) 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-116096371-A Pyrimidine diketone compound containing saturated oxygen heterocyclic group and application thereof 广东东阳光药业有限公司 2023-05-09 CN disclosed