SCHEMBL9030262

SCHEMBL9030262

CC(=O)N(C)CC#CCn1cncc1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.49
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM5 P08912 1/20 0.47
CHRM3 P20309 1/20 0.47

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
SCHEMBL9030772 0.89
SCHEMBL9031254 0.87
SCHEMBL9028860 0.79 CYP19A1 (0.38)
SCHEMBL9030071 0.77 CHRM2 (0.50) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL9030776 0.72 QPCT (0.37)
SCHEMBL9030109 0.71 CHRM1 (0.51) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL9409671 0.69
SCHEMBL9030316 0.69 GLA (0.37)
SCHEMBL9030311 0.69 CHRM2 (0.44) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL11727547 0.68 CHRM1 (1.00) CHRM1CHRM2CHRM4CHRM5CHRM3

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 6 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
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