SCHEMBL9050441

SCHEMBL9050441

COC(=O)C12CCCN(CC1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.50
CHRM4 P08173 2/20 0.50
CHRM1 P11229 2/20 0.50
CHRM3 P20309 2/20 0.50
NPSR1 Q6W5P4 1/20 0.36
USP2 O75604 1/20 0.36
HSD11B1 P28845 1/20 0.35
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL9052128 0.96 CHRM2 (0.45) CHRM2CHRM4CHRM1CHRM3NPSR1
Oxalic Acid SCHEMBL9049463 0.95 CHRM2 (0.47) CHRM2CHRM4CHRM1CHRM3NPSR1
SCHEMBL3318136 0.92 CHRM2 (0.44) CHRM2CHRM4CHRM1CHRM3NPSR1
Oxalic Acid SCHEMBL9048446 0.91 CHRM2 (0.42) CHRM2CHRM4CHRM1CHRM3NPSR1
SCHEMBL8790010 0.89 CHRM2 (0.41) CHRM2CHRM4CHRM1CHRM3NPSR1
Oxalic Acid SCHEMBL9051874 0.87 CHRM1 (0.41) CHRM2CHRM4CHRM1CHRM3NPSR1
Oxalic Acid SCHEMBL8791271 0.84 CHRM2 (0.39) CHRM2CHRM4CHRM1CHRM3NPSR1
SCHEMBL207277 0.81 CHRM2 (0.43) CHRM2CHRM4CHRM1CHRM3
SCHEMBL28436716 0.80 HSD11B1 (0.40) CHRM2CHRM4CHRM1CHRM3NPSR1
SCHEMBL8557075 0.79 CHRM2 (0.46) CHRM2CHRM4CHRM1CHRM3

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-0287356-B1 Bridgehead substituted azabicyclic derivatives BEECHAM GROUP PLC (GB) 1996-01-24 EP claimed
US-4971975-A TREATMENT OF DEMENTIA; AZABICYCLOOCTANE COMPOUNDS BEECHAM GROUP PLC (GB) 1990-11-20 US claimed
EP-0287356-A2 Bridgehead substituted azabicyclic derivatives BEECHAM GROUP PLC (GB) 1988-10-19 EP claimed
EP-0287356-B1 Bridgehead substituted azabicyclic derivatives BEECHAM GROUP PLC (GB) 1996-01-24 EP disclosed
US-5132316-A Cognition activators BEECHAM GROUP P.L.C. (GB) 1992-07-21 US disclosed
US-4971975-A TREATMENT OF DEMENTIA; AZABICYCLOOCTANE COMPOUNDS BEECHAM GROUP PLC (GB) 1990-11-20 US disclosed
EP-0287356-A2 Bridgehead substituted azabicyclic derivatives BEECHAM GROUP PLC (GB) 1988-10-19 EP disclosed