SCHEMBL25898067

SCHEMBL25898067

CCCCCn1ccc2cc(-c3ccc(F)cn3)cc(F)c2c1=O

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 15/20 0.47
▸ TLR8 Q9NR97 2/20 0.39
▸ GLO1 Q04760 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL25898581 0.88 GRM2 (0.44) GRM2GLO1
SCHEMBL25898051 0.87 KDM4E (0.44) GRM2GLO1ALDH1A1
SCHEMBL25898569 0.83 GRM2 (0.41) GRM2GLO1
SCHEMBL26786770 0.81 GRM2 (0.37) GRM2TLR8GLO1ALDH1A1NPSR1
SCHEMBL25898732 0.80 GRM2 (0.51) GRM2
SCHEMBL25897776 0.79 GRM2 (0.46) GRM2TLR8GLO1
SCHEMBL25898373 0.79 NPC1 (0.40) GRM2TLR8ALDH1A1NPSR1
SCHEMBL25319383 0.75 TIPARP (0.56) —
SCHEMBL25319387 0.75 TIPARP (0.56) —
SCHEMBL25898801 0.74 GRM2 (0.40) GRM2TLR8GLO1ALDH1A1NPSR1

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
WO-2023147418-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2023-08-03 — — WO disclosed
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