SCHEMBL22798300

SCHEMBL22798300

CC(=O)N(CC1CC1)C1CCN(C2CC3(CCN(C(=O)O)C3)C2)CC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 5/20 0.36
CHRM1 P11229 3/20 0.35
OPRM1 P35372 2/20 0.33
OPRL1 P41146 2/20 0.33
HRH3 Q9Y5N1 3/20 0.32
CHRM2 P08172 2/20 0.31
NAMPT P43490 1/20 0.30

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
SCHEMBL21315002 0.95 CHRM4 (0.36) CHRM4CHRM1OPRM1OPRL1HRH3
SCHEMBL18428986 0.88 CHRM4 (0.39) CHRM4CHRM1OPRM1OPRL1HRH3
SCHEMBL18429059 0.87 CHRM4 (0.49) CHRM4CHRM1OPRM1OPRL1CHRM2
SCHEMBL22797834 0.86 CHRM4 (0.38) CHRM4CHRM1OPRM1OPRL1HRH3
SCHEMBL22797835 0.85 PIK3CD (0.43) CHRM4CHRM1HRH3CHRM2
SCHEMBL22797893 0.85 CHRM4 (0.35) CHRM4CHRM1HRH3CHRM2
SCHEMBL27177319 0.84 CHRM4 (0.38) CHRM4CHRM1OPRM1OPRL1HRH3
SCHEMBL22797878 0.84 CHRM4 (0.36) CHRM4CHRM1HRH3CHRM2
SCHEMBL22797786 0.84 CHRM4 (0.35) CHRM4CHRM1HRH3
SCHEMBL22798033 0.84 CHRM4 (0.34) CHRM4CHRM1HRH3

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
EP-3331869-B1 MUSCARINIC AGONISTS HEPTARES THERAPEUTICS LTD (GB) 2020-12-23 EP claimed