SCHEMBL29930211

SCHEMBL29930211

CC1Cc2ccccc2N1CC(=O)N1CCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 1.00
CHRM4 P08173 5/20 1.00
CHRM1 P11229 5/20 1.00
CHRM3 P20309 4/20 1.00
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
LMNA P02545 1/20 0.57
ALDH1A1 P00352 6/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
KDM4E B2RXH2 1/20 0.54
GAA P10253 1/20 0.54
MAPK1 P28482 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
MAPT P10636 3/20 0.50
POLB P06746 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
GFER P55789 1/20 0.49
NOTUM Q6P988 1/20 0.49

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
SCHEMBL29930634 0.99 CHRM2 (0.97) CHRM2CHRM4CHRM1CHRM3KMT2A
SCHEMBL28643449 0.86 CHRM2 (1.00) CHRM2CHRM4CHRM1CHRM3KMT2A
SCHEMBL29930410 0.86 CHRM2 (1.00) CHRM2CHRM4CHRM1CHRM3KMT2A
SCHEMBL29930463 0.85 CHRM2 (1.00) CHRM2CHRM4CHRM1CHRM3KMT2A
SCHEMBL28660495 0.85 CHRM2 (0.72) CHRM2CHRM4CHRM1CHRM3KMT2A
SCHEMBL28652129 0.84 CHRM2 (0.71) CHRM2CHRM4CHRM1CHRM3KMT2A
SCHEMBL11673002 0.77 CHRM2 (0.63) CHRM2CHRM4CHRM1CHRM3KMT2A
SCHEMBL8366931 0.75 CHRM2 (0.59) CHRM2CHRM4CHRM1CHRM3KMT2A
Hydrochloric Acid SCHEMBL5367455 0.74 CHRM2 (0.57) CHRM2CHRM4CHRM1CHRM3KMT2A
SCHEMBL4075043 0.72 CHRM2 (0.56) CHRM2CHRM4CHRM1CHRM3KMT2A

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
CN-113527172-B M2 acetylcholine receptor antagonists and uses thereof 上海交通大学医学院附属仁济医院 2022-10-25 CN disclosed