SCHEMBL9409685

SCHEMBL9409685

CN(C)CC#CCN1CCNC1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.45
CHRM4 P08173 2/20 0.45
CHRM5 P08912 2/20 0.45
CHRM1 P11229 2/20 0.45
CHRM3 P20309 2/20 0.45
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 2/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL9409701 0.87 CHRM2 (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9637899 0.78 KMT2A (0.41) MEN1KMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL9409681 0.78 POLB (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9409672 0.75 CHRM2 (0.58) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL28672847 0.74 KMT2A (0.43) MEN1KMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL11725908 0.72 CHRM2 (0.62) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9409697 0.72 CHRM2 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL16059829 0.71
SCHEMBL9409665 0.71 CHRM2 (0.39) CHRM2CHRM5CHRM1
SCHEMBL9409686 0.71 TBXAS1 (0.43) ALDH1A1

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 10 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
EP-0440670-A1 HETEROCYCLIC ACETYLENIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY. UPJOHN CO (US) 1991-08-14 EP claimed
WO-1990004588-A1 HETEROCYCLIC ACETYLENIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY THE UPJOHN COMPANY (US) 1990-05-03 WO claimed
US-20230203484-A1 DOUBLE STRANDED OLIGONUCLEOTIDE COMPOSITIONS AND METHODS RELATING THERETO WAVE LIFE SCIENCES LTD. (SG) 2023-06-29 US disclosed
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