SCHEMBL24029692

SCHEMBL24029692

CCCCN1CCOC2(CCN(C(C)=O)CC2)C1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 13/20 0.44
S1PR1 P21453 2/20 0.40
S1PR3 Q99500 2/20 0.40
S1PR5 Q9H228 2/20 0.40
S1PR4 O95977 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP2D6 P10635 1/20 0.34
USP2 O75604 1/20 0.34
HPGD P15428 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM3 P20309 1/20 0.34

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
SCHEMBL23568918 0.85 MGLL (0.49) MGLLSMN1; SMN2CHRM2CHRM3
SCHEMBL22790691 0.85 MGLL (0.41) MGLLSMN1; SMN2CHRM2CHRM3
SCHEMBL29646242 0.85 S1PR1 (0.41) MGLLS1PR1S1PR3S1PR5S1PR4
SCHEMBL25887901 0.83 L3MBTL1 (0.47) MGLLS1PR1S1PR3S1PR5S1PR4
SCHEMBL25829095 0.83 MGLL (0.45) MGLLS1PR1S1PR3S1PR5S1PR4
SCHEMBL29646165 0.82 S1PR1 (0.39) MGLLS1PR1S1PR3S1PR5S1PR4
SCHEMBL23945989 0.80 MGLL (0.43) MGLLS1PR1S1PR3S1PR5S1PR4
SCHEMBL26404934 0.80 MGLL (0.40) MGLLS1PR1S1PR3S1PR5S1PR4
SCHEMBL23806770 0.77 MGLL (0.47) MGLLCHRM2CHRM3
SCHEMBL26408514 0.76 MGLL (0.44) MGLLCHRM2CHRM3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023076161-A1 TYK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-05-04 WO disclosed
WO-2021231778-A1 CORONAVIRUS PROTEASE DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-11-18 WO disclosed