SCHEMBL9702691

SCHEMBL9702691

CCCc1noc(C2CC[N+](C)(OC(=O)C(=O)O[N+]3(C)CCC(c4nc(CCC)no4)CC3)CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.37
CHRM2 P08172 3/20 0.34
CHRM4 P08173 3/20 0.34
CHRM5 P08912 3/20 0.34
CHRM1 P11229 3/20 0.34
CHRM3 P20309 3/20 0.34
GPR119 Q8TDV5 1/20 0.34
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRB2 P47870 1/20 0.32
PLAT P00750 1/20 0.31
S1PR1 P21453 2/20 0.30
S1PR3 Q99500 2/20 0.30
TSHR P16473 1/20 0.30
XBP1 P17861 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
KDM4E B2RXH2 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL10419847 0.80 EPHX2 (0.41) CHRM2GABRA1GABRB2RAB9A
SCHEMBL9702939 0.79 HCRTR1 (0.36) GABRA1GABRB2
SCHEMBL11967082 0.78 RAB9A (0.40) SCN9ACHRM2CHRM4CHRM5CHRM1
SCHEMBL10418865 0.77 PPARG (0.34) GPR119PPARGPPARA
SCHEMBL9704923 0.72 CHRM2 (0.52) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL2300245 0.72 GPR119 (0.39) SCN9ACHRM2CHRM4CHRM5CHRM1
Oxalic Acid SCHEMBL9702684 0.72 CHRM2 (0.51) SCN9ACHRM2CHRM4CHRM5CHRM1
Oxalic Acid SCHEMBL9702698 0.72 CHRM2 (0.51) SCN9ACHRM2CHRM4CHRM5CHRM1
SCHEMBL2356574 0.71 PLAT (0.45) SCN9ACHRM2CHRM4CHRM5CHRM1
SCHEMBL9703140 0.68 GABRA1 (0.37) GABRA1GABRA3GABRB2TSHRKDM4E

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