SCHEMBL9029464

SCHEMBL9029464

Cc1cncn1CC#CC(C)N1CCCC1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.59
CHRM4 P08173 2/20 0.59
CHRM5 P08912 2/20 0.59
CHRM1 P11229 2/20 0.59
CHRM3 P20309 2/20 0.59

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
Bromide SCHEMBL9030363 0.99 CHRM2 (0.57) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9029883 0.78 CHRM2 (0.60) CHRM2CHRM4CHRM5CHRM1CHRM3
Bromide SCHEMBL9029738 0.77 CHRM2 (0.59) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9028791 0.77 CHRM2 (0.60) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9030311 0.72 CHRM2 (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9031095 0.71 CHRM2 (0.68) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9030722 0.70 CHRM2 (0.61) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9030400 0.68 LMNA (0.47)
SCHEMBL24348182 0.66 CHRM2 (0.59) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9030071 0.66 CHRM2 (0.50) 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 3 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-A1 ACETYLENIC IMIDAZOLES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY. UPJOHN CO (US) 1991-05-15 EP claimed
WO-1990001026-A1 ACETYLENIC IMIDAZOLES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY THE UPJOHN COMPANY (US) 1990-02-08 WO claimed