SCHEMBL20153427

SCHEMBL20153427

CC1(NC(=O)C2CCN(C3CCC4(C3)CN(C(=O)O)C4)CC2)CCC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 7/20 0.53
CHRM4 P08173 8/20 0.40
CHRM2 P08172 3/20 0.39
CHRM5 P08912 1/20 0.36
HRH3 Q9Y5N1 2/20 0.35
KDM5A P29375 1/20 0.32
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HRH1 P35367 1/20 0.31
HTR2B P41595 1/20 0.31
LMNA P02545 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
SCHEMBL15618631 0.89 CHRM1 (0.52) CHRM1CHRM4CHRM2HRH3KDM5A
SCHEMBL15618629 0.89 CHRM1 (0.52) CHRM1CHRM4CHRM2HRH3KDM5A
SCHEMBL15618733 0.85 CHRM1 (0.70) CHRM1CHRM4CHRM2CHRM5LMNA
SCHEMBL15618961 0.82 CHRM1 (0.57) CHRM1CHRM4CHRM2CHRM5
SCHEMBL17506708 0.82 CHRM1 (0.44) CHRM1CHRM4CHRM2HRH3KDM5A
SCHEMBL17506709 0.82 CHRM1 (0.44) CHRM1CHRM4CHRM2HRH3KDM5A
SCHEMBL14964784 0.81 CHRM1 (0.73) CHRM1HRH3LMNA
SCHEMBL17254480 0.81 CHRM1 (0.73) CHRM1HRH3LMNA
SCHEMBL15618708 0.78 CHRM1 (0.69) CHRM1CHRM4CHRM2LMNA
SCHEMBL15630300 0.78 CHRM1 (0.53) CHRM1CHRM4HRH3

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
US-9975890-B2 Bicyclic AZA compounds as muscarinic M1 receptor antagonists HEPTARES THERAPEUTICS LIMITED (GB) 2018-05-22 US claimed