SCHEMBL9028791

SCHEMBL9028791

CC(C#CCn1ccnc1)N1CCCC1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.60
CHRM4 P08173 3/20 0.60
CHRM5 P08912 3/20 0.60
CHRM1 P11229 3/20 0.60
CHRM3 P20309 3/20 0.60

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
SCHEMBL9409678 0.80 TBXAS1 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9029464 0.77 CHRM2 (0.59) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9029648 0.76 CHRM2 (0.56) CHRM2CHRM4CHRM5CHRM1CHRM3
Bromide SCHEMBL9030363 0.76 CHRM2 (0.57) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL15720487 0.74 LMNA (0.42)
SCHEMBL9031095 0.72 CHRM2 (0.68) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL12376565 0.71 TBXAS1 (0.44)
SCHEMBL9832009 0.71 TBXAS1 (0.42)
SCHEMBL9030722 0.70 CHRM2 (0.61) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9029545 0.69 TBXAS1 (0.47) 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 5 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 claimed
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