SCHEMBL28544296

SCHEMBL28544296

O=C(O)N1CCCC1Cn1cc(C(=O)C(F)(F)F)c2c(Cl)cccc21

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IL1B P01584 18/20 0.53
P2RX7 Q99572 18/20 0.53

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
SCHEMBL28544294 1.00 IL1B (0.53) IL1BP2RX7
SCHEMBL17818900 0.87 IL1B (0.69) IL1BP2RX7
SCHEMBL17818899 0.87 IL1B (0.69) IL1BP2RX7
SCHEMBL28537845 0.79 IL1B (0.58) IL1BP2RX7
SCHEMBL28537846 0.79 IL1B (0.58) IL1BP2RX7
SCHEMBL17818765 0.78 IL1B (0.62) IL1BP2RX7
SCHEMBL17818973 0.78 IL1B (0.70) IL1BP2RX7
SCHEMBL17818970 0.78 IL1B (0.70) IL1BP2RX7
SCHEMBL17818968 0.78 P2RX7 (0.64) IL1BP2RX7
SCHEMBL17818838 0.77 P2RX7 (0.65) IL1BP2RX7

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-107207476-B Indole and azaindole derivatives and their use in neurodegenerative diseases 默克专利有限公司 2021-03-19 CN disclosed