SCHEMBL20073973

SCHEMBL20073973

CCOC(=O)N1CCCN(C2CCC(NC)(c3ccccc3)CC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPK1 P28482 1/20 0.47
CHRM1 P11229 3/20 0.47
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
GAA P10253 1/20 0.45
ALOX12 P18054 1/20 0.45
TP53 P04637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 1/20 0.45
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM5 P08912 1/20 0.45
CHRM3 P20309 1/20 0.45

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
SCHEMBL24609048 0.98 MEN1 (0.49) POLBMEN1KMT2AMAPK1CHRM1
SCHEMBL24609120 0.90 MAPK1 (0.46) POLBMEN1KMT2AMAPK1CHRM1
SCHEMBL24609204 0.90 SMN1; SMN2 (0.52) POLBMEN1KMT2AMAPK1CHRM1
SCHEMBL24609202 0.89 CHRM2 (0.54) MEN1KMT2AMAPK1CHRM1ALDH1A1
SCHEMBL23799245 0.86 POLB (0.48) POLBMEN1KMT2AMAPK1CHRM1
SCHEMBL20066038 0.84 HSD11B1 (0.48) POLBMEN1KMT2AMAPK1CHRM1
SCHEMBL24609142 0.84 GAA (0.48) POLBMEN1KMT2AMAPK1CHRM1
SCHEMBL20066008 0.82 CYP2D6 (0.48) POLBMEN1KMT2AMAPK1CHRM1
SCHEMBL24609124 0.81 NOS2 (0.51) POLBMEN1KMT2AMAPK1CHRM1
SCHEMBL20066073 0.80 CYP2D6 (0.49) POLBMEN1KMT2AMAPK1CHRM1

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-2018069732-A1 HETEROCYCLIC COMPOUNDS HAVING ACTIVITY AS MODULATORS OF MUSCARINIC M1 AND/OR M4 RECEPTORS IN THE TREATMENT OF CNS DISEASES AND PAINS. HEPTARES THERAPEUTICS LIMITED (GB) 2018-04-19 WO disclosed