SCHEMBL10396161

SCHEMBL10396161

CC(=O)S[C@H]1CCN(CC#CCN2CCCCC2)C1=O

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 7/20 0.57
CHRM4 P08173 7/20 0.57
CHRM5 P08912 7/20 0.57
CHRM1 P11229 7/20 0.57
CHRM3 P20309 7/20 0.57
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL10396162 1.00 CHRM2 (0.57) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10395609 0.99 CHRM2 (0.58) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10395608 0.99 CHRM2 (0.58) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9728616 0.83 CHRM2 (0.62) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10395591 0.83 CHRM2 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10395589 0.83 CHRM2 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10396080 0.83 CHRM2 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8847729 0.81 CHRM2 (0.65) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8847720 0.81 CHRM2 (0.65) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8848052 0.81 CHRM2 (0.51) CHRM2CHRM4CHRM5CHRM1CHRM3

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-4937235-A Anticholinergic agents AMERICAN CYANAMID COMPANY (US) 1990-06-26 US claimed