SCHEMBL28670710

SCHEMBL28670710

Cc1cc(NC2CCC2(C)O)nnc1Cl

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IL1B P01584 5/20 0.39
PGR P06401 3/20 0.36
NR3C2 P08235 3/20 0.36
AR P10275 3/20 0.36
NR3C1 P04150 1/20 0.36
TNF P01375 1/20 0.33
EDNRA P25101 1/20 0.30

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
SCHEMBL30833968 0.91 PGR (0.46) IL1BPGRNR3C2ARNR3C1
SCHEMBL22655173 0.77 IL1B (0.62) IL1BTNFEDNRA
SCHEMBL22655174 0.77 IL1B (0.62) IL1BTNFEDNRA
SCHEMBL29325946 0.72 PGR (0.36) PGRNR3C2ARNR3C1
SCHEMBL30833991 0.70 IL1B (0.45) IL1BTNF
SCHEMBL30833874 0.70 IL1B (0.45) IL1BTNF
SCHEMBL26943723 0.70 IL1B (0.45) IL1BTNF
SCHEMBL25297096 0.68 IL1B (0.48) IL1B
SCHEMBL25252231 0.68 IL1B (0.48) IL1B
Hydrochloric Acid SCHEMBL31057109 0.67 IL1B (0.47) IL1B

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-113784957-A NLRP3 inflammasome inhibitor 诺华股份有限公司 2021-12-10 CN disclosed