SCHEMBL9704984

SCHEMBL9704984

C[N+]1(OC(=O)C(=O)O[N+]2(C)CCC=C(c3nc(C4CC4)no3)C2)CCC=C(c2nc(C3CC3)no2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CHRM2 P08172 2/20 0.35
CHRM4 P08173 2/20 0.35
CHRM5 P08912 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
USP7 Q93009 2/20 0.34
FABP4 P15090 4/20 0.33
FABP5 Q01469 4/20 0.33
POLB P06746 1/20 0.33
CASP3 P42574 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
CA12 O43570 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 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
SCHEMBL10418871 0.83 CHRM2 (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10418513 0.80 CHRM2 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9703163 0.80 MAOA (0.35) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9703140 0.79 GABRA1 (0.37) CA1CA2CA9CA12KDM4E
SCHEMBL9704923 0.78 CHRM2 (0.52) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9702753 0.78 CHRM2 (0.54) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9703181 0.76 CHRM2 (0.53) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9704946 0.75 CHRM2 (0.54) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9702939 0.75 HCRTR1 (0.36)
SCHEMBL9702952 0.74 CHRM2 (0.55) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0259621-B1 PIPERIDINE COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1992-11-25 EP disclosed
US-4933353-A ALZHEIMER*S DISEASE A/S FERROSAN (DE) 1990-06-12 US disclosed
EP-0259621-A2 Piperidine compounds and their preparation and use NOVO NORDISK A/S (DK) 1988-03-16 EP disclosed