SCHEMBL9846704

SCHEMBL9846704

CCCCc1nccn1-c1ccc2c(c1)cc(-c1ccccc1C(=O)OC)n2C

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.40
AGTR1 P30556 4/20 0.40
AGTR2 P50052 2/20 0.40
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
ACHE P22303 1/20 0.35

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
Trifluoroacetic Acid SCHEMBL9846785 0.85 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9846680 0.72 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL988193 0.72 SLC6A4 (0.53) LMNATP53MAPT
SCHEMBL9846700 0.70 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL10576800 0.68 AGTR1 (0.60) AGTR1AGTR2
SCHEMBL9846761 0.67 AGTR1 (0.45) TLR8AGTR1AGTR2
SCHEMBL9309540 0.66 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL9846708 0.66 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL27562946 0.66 CYP1A2 (0.46) AGTR1AGTR2
SCHEMBL9309546 0.66 AGTR1 (0.54) AGTR1AGTR2

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
EP-0429257-A2 Indole derivatives GLAXO GROUP LIMITED (GB) 1991-05-29 EP disclosed