SCHEMBL22849040

SCHEMBL22849040

C=CC(=O)N1CCC2(CC1)CN(CCCC)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 1/20 0.40
KMT2A Q03164 5/20 0.39
TET3 O43151 4/20 0.39
FBXL19 Q6PCT2 4/20 0.39
CXXC5 Q7LFL8 4/20 0.39
KDM2B Q8NHM5 4/20 0.39
CXXC4 Q9H2H0 4/20 0.39
KDM2A Q9Y2K7 4/20 0.39
TET1 Q8NFU7 3/20 0.39
TEAD3 Q99594 1/20 0.38
S1PR1 P21453 2/20 0.38
S1PR3 Q99500 2/20 0.38
S1PR5 Q9H228 2/20 0.38
S1PR4 O95977 1/20 0.38
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
CYP2D6 P10635 1/20 0.35
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL23328300 0.85 CYP2D6 (0.39) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL28201825 0.82 GPR183 (0.54) GPR183TEAD3S1PR1S1PR3S1PR5
SCHEMBL23328306 0.78 TEAD3 (0.35) GPR183KMT2ATET3FBXL19CXXC5
SCHEMBL21787313 0.78 CYP2D6 (0.54) CYP2D6USP2CYP2C19
SCHEMBL24508582 0.78 HRH2 (0.41) S1PR1S1PR3S1PR5S1PR4DRD2
SCHEMBL24173124 0.76 GNAI3 (0.49) GPR183TEAD3S1PR1S1PR3S1PR5
SCHEMBL22856547 0.76 S1PR1 (0.46) S1PR1S1PR3S1PR5S1PR4CYP2D6
SCHEMBL11293146 0.74 GPR183 (0.40) GPR183TEAD3S1PR1S1PR3S1PR5
SCHEMBL22296239 0.74 USP2 (0.45) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL23945646 0.73 L3MBTL1 (0.54) KMT2AS1PR1S1PR3S1PR5S1PR4

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-2020264499-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-12-30 WO disclosed