SCHEMBL14978780

SCHEMBL14978780

CC1(NC(=O)C2(C)CCN(C3CCCN(C(=O)O)CC3)CC2)CCC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.52
L3MBTL3 Q96JM7 9/20 0.37
L3MBTL1 Q9Y468 8/20 0.37
HRH3 Q9Y5N1 3/20 0.33
KCNH2 Q12809 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MBTD1 Q05BQ5 2/20 0.32
TP53BP1 Q12888 1/20 0.31
L3MBTL4 Q8NA19 1/20 0.31

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
SCHEMBL14964734 0.86 CHRM1 (0.53) CHRM1L3MBTL3L3MBTL1HRH3KCNH2
SCHEMBL16217946 0.85 CHRM1 (0.73) CHRM1L3MBTL1ALDH1A1
SCHEMBL14964784 0.82 CHRM1 (0.73) CHRM1L3MBTL3L3MBTL1HRH3ALDH1A1
SCHEMBL17254480 0.82 CHRM1 (0.73) CHRM1L3MBTL3L3MBTL1HRH3ALDH1A1
SCHEMBL16217929 0.74 CHRM1 (0.70) CHRM1L3MBTL1ALDH1A1
SCHEMBL14978786 0.74 CHRM1 (0.70) CHRM1L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL2039482 0.73 L3MBTL3 (0.39) CHRM1L3MBTL3L3MBTL1HRH3KCNH2
SCHEMBL16210465 0.73 CHRM1 (0.55) CHRM1HRH3ALDH1A1MEN1KMT2A
SCHEMBL14964764 0.72 CHRM1 (0.43) CHRM1L3MBTL3L3MBTL1HRH3KCNH2
SCHEMBL14978787 0.72 CHRM1 (0.67) CHRM1L3MBTL1ALDH1A1

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-2013072705-A1 MUSCARINIC M1 RECEPTOR AGONISTS HEPTARES THERAPEUTICS LIMITED (GB) 2013-05-23 WO disclosed