SCHEMBL28537845

SCHEMBL28537845

CN(C(=O)c1cn(C[C@@H]2CCCN2C(=O)O)c2cccc(Cl)c12)C1(O)CCC(F)(F)CC1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IL1B P01584 19/20 0.58
P2RX7 Q99572 17/20 0.58

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
SCHEMBL28537846 1.00 IL1B (0.58) IL1BP2RX7
SCHEMBL17818856 0.89 IL1B (0.74) IL1BP2RX7
SCHEMBL20995298 0.89 IL1B (0.74) IL1BP2RX7
SCHEMBL17818990 0.86 IL1B (0.55) IL1BP2RX7
SCHEMBL28536809 0.83 IL1B (0.60) IL1BP2RX7
SCHEMBL28536808 0.83 IL1B (0.60) IL1BP2RX7
SCHEMBL17818922 0.79 IL1B (0.46) IL1BP2RX7
SCHEMBL28544294 0.79 IL1B (0.53) IL1BP2RX7
SCHEMBL28544296 0.79 IL1B (0.53) IL1BP2RX7
SCHEMBL17818877 0.78 IL1B (0.73) 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