SCHEMBL9030722

SCHEMBL9030722

CCN(CC)CC#CC(C)N1CCCC1=O

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.61
CHRM4 P08173 5/20 0.61
CHRM5 P08912 5/20 0.61
CHRM1 P11229 5/20 0.61
CHRM3 P20309 5/20 0.61
LMNA P02545 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
PIK3CD O00329 1/20 0.36

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
SCHEMBL9031095 0.81 CHRM2 (0.68) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9409731 0.77 CHRM2 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL24348182 0.73 CHRM2 (0.59) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL948021 0.71 CHRM2 (0.57) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9029857 0.71 CHRM2 (0.58) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9028791 0.70 CHRM2 (0.60) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9029464 0.70 CHRM2 (0.59) CHRM2CHRM4CHRM5CHRM1CHRM3
Bromide SCHEMBL9030363 0.69 CHRM2 (0.57) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3124222 0.69 CHRM2 (0.54) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL13259747 0.67 LMNA (0.58) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0426714-B1 ACETYLENIC IMIDAZOLES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY UPJOHN CO (US) 1996-04-03 EP disclosed
US-5100909-A Cholinergic antagonists, analgesics, treatment of Alzheimer*s disease THE UPJOHN COMPANY (US) 1992-03-31 US disclosed
EP-0426714-A1 ACETYLENIC IMIDAZOLES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY. UPJOHN CO (US) 1991-05-15 EP disclosed
WO-1990001026-A1 ACETYLENIC IMIDAZOLES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY THE UPJOHN COMPANY (US) 1990-02-08 WO disclosed