SCHEMBL28538549

SCHEMBL28538549

COCCn1cc(C(=O)O)c2c(Cl)cccc21.NC(=O)c1ccccc1F

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 19/20 0.64
IL1B P01584 12/20 0.56

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
SCHEMBL28538883 0.87 P2RX7 (0.66) P2RX7IL1B
SCHEMBL2037089 0.87 P2RX7 (0.65) P2RX7IL1B
SCHEMBL2035593 0.83 P2RX7 (0.57) P2RX7IL1B
SCHEMBL28544311 0.82 P2RX7 (0.59) P2RX7IL1B
SCHEMBL17818712 0.78 P2RX7 (1.00) P2RX7IL1B
SCHEMBL2036958 0.76 P2RX7 (0.64) P2RX7IL1B
SCHEMBL17818730 0.75 P2RX7 (0.61) P2RX7IL1B
SCHEMBL2036321 0.74 ALDH1A1 (0.54) P2RX7IL1B
SCHEMBL1275602 0.73 P2RX7 (0.47) P2RX7IL1B
SCHEMBL2035744 0.73 CNR1 (0.49) P2RX7IL1B

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