SCHEMBL9409665

SCHEMBL9409665

Cc1cncn1CC#CCN1CCNC1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39

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
SCHEMBL9029883 0.78 CHRM2 (0.60) CHRM2CHRM5CHRM1
SCHEMBL9409682 0.78
Bromide SCHEMBL9029738 0.77 CHRM2 (0.59) CHRM2CHRM5CHRM1
SCHEMBL9409671 0.74
SCHEMBL9030311 0.74 CHRM2 (0.44) CHRM2CHRM5CHRM1
SCHEMBL9030400 0.73 LMNA (0.47)
SCHEMBL9409686 0.72 TBXAS1 (0.43)
SCHEMBL9409685 0.71 CHRM2 (0.45) CHRM2CHRM5CHRM1
SCHEMBL9637899 0.70 KMT2A (0.41)
SCHEMBL9409681 0.70 POLB (0.41) CHRM2CHRM5CHRM1

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-0605393-A1 Heterocyclic acetylenic amines having central nervous system activity THE UPJOHN COMPANY (US) 1994-07-06 EP 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