SCHEMBL8790010

SCHEMBL8790010

COC(=O)C12CCCN(C1)C2

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
NPSR1 Q6W5P4 1/20 0.38
USP2 O75604 1/20 0.38
HSD11B1 P28845 1/20 0.36
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33

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
Oxalic Acid SCHEMBL8791271 0.94 CHRM2 (0.39) CHRM2CHRM4CHRM1CHRM3NPSR1
SCHEMBL9052128 0.92 CHRM2 (0.45) CHRM2CHRM4CHRM1CHRM3NPSR1
SCHEMBL9050441 0.89 CHRM2 (0.50) CHRM2CHRM4CHRM1CHRM3NPSR1
Oxalic Acid SCHEMBL9048446 0.87 CHRM2 (0.42) CHRM2CHRM4CHRM1CHRM3NPSR1
Oxalic Acid SCHEMBL9049463 0.84 CHRM2 (0.47) CHRM2CHRM4CHRM1CHRM3NPSR1
SCHEMBL3318136 0.79 CHRM2 (0.44) CHRM2CHRM4CHRM1CHRM3NPSR1
SCHEMBL8523645 0.77 CHRM2 (0.38) CHRM2CHRM4CHRM1CHRM3USP2
Oxalic Acid SCHEMBL9051874 0.74 CHRM1 (0.41) CHRM2CHRM4CHRM1CHRM3NPSR1
SCHEMBL8790867 0.74 CHRM2 (0.35) CHRM2CHRM4CHRM1CHRM3
SCHEMBL28436716 0.74 HSD11B1 (0.40) CHRM2CHRM4CHRM1CHRM3NPSR1

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-0413545-B1 Azabicyclic compounds BEECHAM GROUP PLC (GB) 1997-05-14 EP claimed
US-5157160-A Treatment of diseases of the nervous system BEECHAM GROUP P.L.C. (GB) 1992-10-20 US claimed
EP-0413545-A2 Azabicyclic compounds Beecham Group p.l.c. (GB) 1991-02-20 EP claimed
EP-0413545-B1 Azabicyclic compounds BEECHAM GROUP PLC (GB) 1997-05-14 EP disclosed
US-5157160-A Treatment of diseases of the nervous system BEECHAM GROUP P.L.C. (GB) 1992-10-20 US disclosed
US-5043343-A Certain 5-substituted-1-aza-bicyclo[3.3.3]heptanes and their pharmaceutical compositions and methods BEECHAM GROUP P.L.C. (GB) 1991-08-27 US disclosed
EP-0413545-A2 Azabicyclic compounds Beecham Group p.l.c. (GB) 1991-02-20 EP disclosed