SCHEMBL9409674

SCHEMBL9409674

Cn1ccn(CC#CCN2CCCC2)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 8/20 0.47
CHRM4 P08173 8/20 0.47
CHRM5 P08912 8/20 0.47
CHRM1 P11229 8/20 0.47
CHRM3 P20309 8/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 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
SCHEMBL9409688 0.77 HSD17B13 (0.32)
SCHEMBL9409721 0.75 CHRM2 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9409710 0.74 CHRM2 (0.55) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9409666 0.72 CHRM2 (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9409722 0.71 LMNA (0.48) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9409684 0.70 TBXAS1 (0.43)
SCHEMBL892987 0.68 LMNA (1.00) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9030449 0.67 CHRM2 (0.61) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL6081619 0.66 LMNA (0.93) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9733197 0.66 LMNA (0.93) 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