SCHEMBL9704923

SCHEMBL9704923

CCCc1noc(C2=CCC[N+](C)(OC(=O)C(=O)O[N+]3(C)CCC=C(c4nc(CCC)no4)C3)C2)n1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 17/20 0.52
CHRM4 P08173 17/20 0.52
CHRM5 P08912 17/20 0.52
CHRM1 P11229 17/20 0.52
CHRM3 P20309 17/20 0.52
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL9703181 0.93 CHRM2 (0.53) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9704946 0.92 CHRM2 (0.54) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9702952 0.91 CHRM2 (0.55) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10419887 0.91 CHRM2 (0.55) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10418513 0.91 CHRM2 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9702753 0.86 CHRM2 (0.54) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10418871 0.82 CHRM2 (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9704921 0.80 CHRM2 (0.52) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9703214 0.79 KDM4E (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9703163 0.79 MAOA (0.35) 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 4 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
US-4837241-A TREATMENT OF ALZEHEIMER*S DISEASE A/S FERROSAN (DK) 1989-06-06 US disclosed
EP-0259621-A2 Piperidine compounds and their preparation and use NOVO NORDISK A/S (DK) 1988-03-16 EP disclosed