SCHEMBL5199029

SCHEMBL5199029

CC(C)COC(=O)N1CCC(N2CCc3cccc(F)c32)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
BRD4 O60885 1/20 0.41
GPR119 Q8TDV5 4/20 0.41
PRMT5 O14744 3/20 0.40
WDR77 Q9BQA1 3/20 0.40
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
KDM4E B2RXH2 1/20 0.39
DRD2 P14416 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL5310120 0.83 GPR119 (0.44) ALDH1A1MAPTBRD4GPR119CHRM2
SCHEMBL3941601 0.82 OPRM1 (0.51) BRD4PRMT5WDR77DRD2L3MBTL1
SCHEMBL4900251 0.81 GPR119 (0.49) GPR119PRMT5WDR77
SCHEMBL5199608 0.81 GPR119 (0.49) ALDH1A1BRD4GPR119CHRM2CHRM1
SCHEMBL3940080 0.76 OPRM1 (0.46) PRMT5WDR77DRD2
SCHEMBL5196493 0.76 GPR119 (0.45) ALDH1A1MAPTGPR119CHRM2CHRM1
SCHEMBL5197000 0.74 DPP4 (0.43) MAPTGPR119PRMT5WDR77CHRM2
SCHEMBL5197149 0.74 GPR119 (0.41) MAPTGPR119PRMT5WDR77CHRM2
SCHEMBL5199217 0.73 CHRM2 (0.45) ALDH1A1GPR119CHRM2CHRM1KDM4E
SCHEMBL5228645 0.73 CHRM2 (0.48) MAPTGPR119CHRM2CHRM1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1814873-A2 5-SULFONYL-1-PIPERIDINYL SUBSTITUTED INDOLE DERIVATIVES AS 5-HT6 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CNS DISORDERS GLAXO GROUP LIMITED (GB) 2007-08-08 EP disclosed
WO-2006038006-A2 5-SULFONYL-1-PIPERIDINYL SUBSTITUTED INDOLE DERIVATIVES AS 5-HT6 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CNS DISORDERS GLAXO GROUP LIMITED (GB) 2006-04-13 WO disclosed