SCHEMBL9022808

SCHEMBL9022808

CN(C)CC#CC1CCCN1C(=O)OC(C)(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 6/20 0.61
CHRM4 P08173 6/20 0.61
CHRM5 P08912 6/20 0.61
CHRM1 P11229 6/20 0.61
CHRM3 P20309 6/20 0.61
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL9022861 1.00 CHRM2 (0.61) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9023197 1.00 CHRM2 (0.61) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9752515 0.85 HSD17B10 (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9022485 0.82 CHRM2 (0.67) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9022489 0.82 CHRM2 (0.67) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9752373 0.81 CHRM2 (0.48) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9752304 0.81 CHRM2 (0.48) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL28657451 0.81 CHRM2 (0.48) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL24382035 0.80 HSD17B10 (0.47) HSD17B10
SCHEMBL9022380 0.80 CHRM2 (0.71) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0440670-B1 HETEROCYCLIC ACETYLENIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY UPJOHN CO (US) 1996-03-06 EP claimed
EP-0440670-B1 HETEROCYCLIC ACETYLENIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY UPJOHN CO (US) 1996-03-06 EP disclosed
US-5225567-A HETEROCYCLIC ACETYLENIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY THE UPJOHN COMPANY (US) 1993-07-06 US disclosed
US-5157124-A Improving mental performance THE UPJOHN COMPANY (US) 1992-10-20 US disclosed
US-5137905-A Cholinergic agonists; analgesics; cognition activators THE UPJOHN COMPANY (US) 1992-08-11 US disclosed
EP-0440670-A1 HETEROCYCLIC ACETYLENIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY. UPJOHN CO (US) 1991-08-14 EP disclosed
WO-1990004588-A1 HETEROCYCLIC ACETYLENIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY THE UPJOHN COMPANY (US) 1990-05-03 WO disclosed