SCHEMBL9409667

SCHEMBL9409667

CC(C#CCN(C)C)n1ccn(C)c1=O

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM5 P08912 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 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
SCHEMBL9409721 0.69 CHRM2 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6736338 0.67 LPO (0.32)
SCHEMBL9409692 0.66 CHRM2 (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9826532 0.64 CHRM2 (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL20644462 0.60
SCHEMBL12590734 0.60
SCHEMBL9409666 0.57 CHRM2 (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7704608 0.57
SCHEMBL27870485 0.55 HTT (0.31)
SCHEMBL1311902 0.53 RAB9A (0.65) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0605393-A1 Heterocyclic acetylenic amines having central nervous system activity THE UPJOHN COMPANY (US) 1994-07-06 EP claimed
US-5157124-A Improving mental performance THE UPJOHN COMPANY (US) 1992-10-20 US claimed
WO-1990004588-A1 HETEROCYCLIC ACETYLENIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY THE UPJOHN COMPANY (US) 1990-05-03 WO claimed
EP-0605393-A1 Heterocyclic acetylenic amines having central nervous system activity THE UPJOHN COMPANY (US) 1994-07-06 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
WO-1990004588-A1 HETEROCYCLIC ACETYLENIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY THE UPJOHN COMPANY (US) 1990-05-03 WO disclosed