SCHEMBL14964764

SCHEMBL14964764

COC(=O)C1(OC)CCN(C2CCCN(C(=O)O)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.43
L3MBTL3 Q96JM7 4/20 0.39
L3MBTL1 Q9Y468 4/20 0.39
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PKM P14618 2/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
KCNH2 Q12809 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MMP1 P03956 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 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
SCHEMBL14964874 0.86 CHRM1 (0.59) CHRM1L3MBTL1TP53TDP1PKM
SCHEMBL16210842 0.85 HPGD (0.46) CHRM1HRH3MEN1KMT2AALDH1A1
SCHEMBL14964734 0.83 CHRM1 (0.53) CHRM1L3MBTL3L3MBTL1TP53TDP1
SCHEMBL14964967 0.77 CHRM1 (0.57) CHRM1L3MBTL1TP53TDP1PKM
SCHEMBL16210661 0.76 HPGD (0.47) CHRM1TP53TDP1HRH3SMN1; SMN2
SCHEMBL14964841 0.75 SMN1; SMN2 (0.51) CHRM1L3MBTL3L3MBTL1TP53SMN1; SMN2
SCHEMBL16210548 0.75 SMN1; SMN2 (0.51) CHRM1L3MBTL3L3MBTL1TP53SMN1; SMN2
SCHEMBL3495072 0.72 MEN1 (0.40) L3MBTL3L3MBTL1KDM4EMEN1KMT2A
SCHEMBL14978780 0.72 CHRM1 (0.52) CHRM1L3MBTL3L3MBTL1KCNH2HRH3
SCHEMBL2039482 0.72 L3MBTL3 (0.39) CHRM1L3MBTL3L3MBTL1TP53TDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2780015-A1 MUSCARINIC M1 RECEPTOR AGONISTS Heptares Therapeutics Limited (GB) 2014-09-24 EP disclosed
WO-2013072705-A1 MUSCARINIC M1 RECEPTOR AGONISTS HEPTARES THERAPEUTICS LIMITED (GB) 2013-05-23 WO disclosed