SCHEMBL9703214

SCHEMBL9703214

CCCc1nc(C2=CCC[N+](C)(OC(=O)C(=O)O[N+]3(C)CCC=C(c4noc(CCC)n4)C3)C2)no1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
MAPT P10636 3/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
NAMPT P43490 1/20 0.36
APOBEC3A P31941 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
TP53 P04637 2/20 0.34
MITF O75030 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
LMNA P02545 3/20 0.33
ABL1 P00519 2/20 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
SCHEMBL10420374 0.91 HSD17B10 (0.36) KDM4EMAPTHPGDALDH1A1GAA
SCHEMBL10419891 0.82 PLK1 (0.35) MAPTHPGDGAASMN1; SMN2NPC1
SCHEMBL9704923 0.79 CHRM2 (0.52) KDM4EMAPTHPGDALDH1A1HSD17B10
SCHEMBL9703140 0.78 GABRA1 (0.37) KDM4EHSD17B10SMN1; SMN2NPC1RAB9A
SCHEMBL9703181 0.75 CHRM2 (0.53) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9704946 0.74 CHRM2 (0.54) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10418509 0.74 TSHR (0.35) KDM4EMAPTHPGDALDH1A1GAA
SCHEMBL10418513 0.74 CHRM2 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9702952 0.73 CHRM2 (0.55) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10418871 0.72 CHRM2 (0.47) CYP1A2CYP2C19CHRM2CHRM4CHRM5

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