SCHEMBL22856428

SCHEMBL22856428

CCN1CCC2(CC1)CN(CCCSC)CCO2

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.32
CHRM2 P08172 1/20 0.30
CHRM3 P20309 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GAA P10253 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
SCHEMBL22790691 0.82 MGLL (0.41) MGLLCHRM2CHRM3
SCHEMBL13849529 0.82 KDM4E (0.36) MGLLCHRM2CHRM3KDM4EGAA
SCHEMBL26143500 0.81 MGLL (0.38) MGLLCHRM2CHRM3KDM4EGAA
SCHEMBL22856398 0.80 MGLL (0.39) MGLLKDM4EGAA
SCHEMBL20025015 0.78 MGLL (0.36) MGLLCHRM2CHRM3KDM4EGAA
SCHEMBL25090056 0.77 MGLL (0.32) MGLLKDM4E
SCHEMBL24940823 0.75 MGLL (0.35) MGLL
SCHEMBL26811006 0.75 MGLL (0.36) MGLL
SCHEMBL29646242 0.75 S1PR1 (0.41) MGLLCHRM2
SCHEMBL17642830 0.74 TSHR (0.39) MGLLCHRM2CHRM3KDM4EGAA

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
WO-2020264490-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-12-30 WO disclosed