SCHEMBL30557206

SCHEMBL30557206

CC(C)(C)C[C@](N)(C(=O)O)c1ccc(C#Cc2cnn(C(F)F)c2)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ POLQ O75417 1/20 0.34
▸ FFAR1 O14842 1/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.32
▸ GPER1 Q99527 2/20 0.30

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
SCHEMBL21112326 1.00 POLQ (0.34) POLQFFAR1FFAR4GPER1
SCHEMBL21112328 1.00 POLQ (0.34) POLQFFAR1FFAR4GPER1
SCHEMBL20908241 0.88 POLQ (0.34) POLQ
SCHEMBL29640180 0.88 POLQ (0.34) POLQ
SCHEMBL23115147 0.88 POLQ (0.34) POLQ
SCHEMBL21112963 0.77 CYP1A2 (0.33) FFAR1FFAR4
SCHEMBL21112962 0.77 CYP1A2 (0.33) FFAR1FFAR4
SCHEMBL20899783 0.74 CYP1A2 (0.35) —
SCHEMBL21112711 0.74 CYP1A2 (0.35) —
SCHEMBL30557356 0.74 CYP1A2 (0.35) —

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-111212832-B 1-Benzyl-2-imino-4-phenyl-5-oxoimidazolidine derivatives as HIV protease inhibitors 吉利德科学公司 2023-09-15 — — CN disclosed
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