SCHEMBL9409676

SCHEMBL9409676

C#CC(C)N1CCN(C)C1=O

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.32

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
SCHEMBL1106520 0.76 PIK3CD (0.36) PIK3CD
SCHEMBL7315310 0.74 PIK3CD (0.35) PIK3CD
SCHEMBL9409668 0.73 CHRM2 (0.38) PIK3CD
SCHEMBL23921706 0.72 PIK3CD (0.34) PIK3CD
SCHEMBL28424905 0.72 PIK3CD (0.34) PIK3CD
SCHEMBL24568171 0.72 PIK3CD (0.34) PIK3CD
SCHEMBL9409692 0.71 CHRM2 (0.36)
SCHEMBL9409717 0.70 CHRM2 (0.62)
SCHEMBL9123416 0.69 PIK3CD (0.32) PIK3CD
SCHEMBL9409731 0.69 CHRM2 (0.39)

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-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
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