SCHEMBL22561498

SCHEMBL22561498

C#CCN1CC(C)N(C(=O)OC(C)(C)C)C(C)C1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
NR1H2 P55055 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
HPGD P15428 1/20 0.37
PREP P48147 3/20 0.37
CTSK P43235 1/20 0.36
RECQL P46063 1/20 0.35
BCHE P06276 1/20 0.34
TSHR P16473 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
HSD11B1 P28845 1/20 0.33
HSD17B10 Q99714 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL17148731 1.00 CHRM2 (0.41) CHRM2CHRM1CHRM3NR1H2MEN1
SCHEMBL17727837 0.86 MEN1 (0.42) CHRM2CHRM1CHRM3NR1H2MEN1
SCHEMBL16245964 0.86 MEN1 (0.42) CHRM2CHRM1CHRM3NR1H2MEN1
SCHEMBL12404085 0.82 NR1H2 (0.44) CHRM2CHRM1CHRM3NR1H2MEN1
SCHEMBL25336792 0.81 CHRM2 (0.44) CHRM2CHRM1CHRM3NR1H2MEN1
SCHEMBL19369131 0.79 NR1H2 (0.42) CHRM2CHRM1CHRM3NR1H2MEN1
SCHEMBL3461197 0.79 NR1H2 (0.42) CHRM2CHRM1CHRM3NR1H2MEN1
SCHEMBL22118120 0.78 CHRM2 (0.41) CHRM2CHRM1CHRM3NR1H2MEN1
SCHEMBL22128867 0.78 CHRM2 (0.41) CHRM2CHRM1CHRM3NR1H2MEN1
SCHEMBL22128869 0.78 CHRM2 (0.41) CHRM2CHRM1CHRM3NR1H2MEN1

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
EP-3725314-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2020-10-21 EP disclosed