SCHEMBL4066626

SCHEMBL4066626

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 2/20 0.49
GOT1 P17174 1/20 0.49
KYAT1 Q16773 1/20 0.49
KYAT3 Q6YP21 1/20 0.49
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
ALDH1A1 P00352 2/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 2/20 0.45
CCKBR P32239 6/20 0.45
NPC1 O15118 1/20 0.44
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TSHR P16473 1/20 0.42
PYGL P06737 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
SCHEMBL4075043 0.89 CHRM2 (0.56) AADATGOT1KYAT1KYAT3CHRM2
SCHEMBL4075145 0.89 CHRM2 (0.53) AADATGOT1KYAT1KYAT3CHRM2
SCHEMBL4066622 0.86 CHRM2 (0.46) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL4250747 0.86 SMN1; SMN2 (0.55) AADATGOT1KYAT1KYAT3CHRM2
SCHEMBL4066762 0.86 PYGL (0.54) AADATGOT1KYAT1KYAT3CHRM2
SCHEMBL4064775 0.83 PYGL (0.52) AADATGOT1KYAT1KYAT3CHRM2
SCHEMBL4069399 0.81 CHRM2 (0.48) AADATGOT1KYAT1KYAT3CHRM2
SCHEMBL4072868 0.80 L3MBTL1 (0.46) AADATGOT1KYAT1KYAT3CHRM2
SCHEMBL4073097 0.80 CHRM2 (0.51) AADATGOT1KYAT1KYAT3CHRM2
SCHEMBL4891481 0.79 AADAT (0.59) AADATGOT1KYAT1KYAT3PYGL

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