SCHEMBL4066622

SCHEMBL4066622

CC(=O)N1CCN(C(=O)CN2C(=O)C(C(N)=O)Cc3ccccc32)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
ALDH1A1 P00352 5/20 0.44
HTT P42858 1/20 0.44
CCKBR P32239 6/20 0.44
RAB9A P51151 2/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TSHR P16473 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL4075144 0.90 CHRM2 (0.51) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL4075040 0.90 CHRM2 (0.54) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL4250746 0.86 MEN1 (0.53) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL4066758 0.86 PYGL (0.50) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL4066626 0.86 AADAT (0.49) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL4064769 0.84 PYGL (0.49) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL4069396 0.82 CHRM2 (0.47) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL4072863 0.81 L3MBTL1 (0.46) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL4073094 0.81 CHRM2 (0.49) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL4064789 0.79 POLB (0.47) ALDH1A1TSHRPOLB

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-1819332-B1 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDES PROSIDION LTD (GB) 2009-03-11 EP disclosed