SCHEMBL10831731

SCHEMBL10831731

CCc1noc(C)c1-c1[nH]c2ccc(F)cc2c1C(O)CN(C)C

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 9/20 0.34
TLR7 Q9NYK1 9/20 0.34
TLR9 Q9NR96 8/20 0.34
BRD4 O60885 1/20 0.34
BRD2 P25440 1/20 0.34
BRD3 Q15059 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
KIF11 P52732 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CSF1R P07333 1/20 0.32

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
SCHEMBL10831601 0.91 BRD4 (0.36) TLR8TLR7TLR9BRD4BRD2
SCHEMBL11089655 0.90 TLR9 (0.37) TLR8TLR7TLR9BRD4BRD2
SCHEMBL10951508 0.89 HTR2A (0.38) TLR8TLR7TLR9BRD4HTR2A
SCHEMBL4983559 0.87 BRD4 (0.35) BRD4BRD2BRD3HTR2AHTR2C
SCHEMBL10832147 0.87 ALDH1A1 (0.40) BRD4BRD2BRD3HTR2AHTR2C
SCHEMBL10956084 0.84 TLR8 (0.34) TLR8TLR7TLR9BRD4BRD2
SCHEMBL10950276 0.83 TLR9 (0.37) TLR8TLR7TLR9BRD4
SCHEMBL10831728 0.82 BRD4 (0.34) TLR8TLR7TLR9BRD4BRD2
SCHEMBL11087615 0.79 BRD4 (0.39) TLR8TLR7TLR9BRD4HTR2A
SCHEMBL10954061 0.79 KCNH2 (0.34) HTR2AHTR2CGABRA1GABRG2GABRB3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4336379-A ANTIDIABETIC AGENTS SANDOZ, INC. (US) 1982-06-22 US claimed
US-4582848-A 2-substituted-3-indolamines and use thereof as anti-diabetics SANDOZ, INC. (US) 1986-04-15 US disclosed
US-4544663-A ASPERMATOGENESIS INDUCERS SANDOZ, INC. (US) 1985-10-01 US disclosed
US-4499279-A ANTIDIABETIC AND HYPOGLYCEMIC AGENTS SANDOZ, INC. (US) 1985-02-12 US disclosed
US-4419353-A ANTIDIABETIC AGENTS SANDOZ, INC. (US) 1983-12-06 US disclosed
US-4336379-A ANTIDIABETIC AGENTS SANDOZ, INC. (US) 1982-06-22 US disclosed