SCHEMBL9654170

SCHEMBL9654170

CCC(CCN1CCC(c2ccsc2)CC1)COc1cccc(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.50
HRH3 Q9Y5N1 5/20 0.41
TP53 P04637 2/20 0.41
TLR9 Q9NR96 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
GAA P10253 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
SLC6A4 P31645 1/20 0.39

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
SCHEMBL9655435 0.90 DRD2 (0.49) DRD2HRH3TLR9TLR7SLC6A4
SCHEMBL9653371 0.85 KDM4E (0.45) DRD2HRH3SLC6A4
SCHEMBL9652034 0.84 DRD2 (0.47) DRD2HRH3TP53GAACHRNB4
SCHEMBL9655196 0.82 HRH3 (0.44) HRH3
SCHEMBL5083239 0.77 DRD2 (0.56) DRD2HRH3
SCHEMBL9654191 0.77 CCR2 (0.42) DRD2SLC6A4
SCHEMBL9654252 0.71 CHRNB4 (0.41) DRD2HRH3TP53GAACHRNB4
SCHEMBL9652004 0.70 DRD2 (0.43) DRD2GAA
SCHEMBL9094537 0.70 CHRNB4 (0.42) DRD2HRH3CHRNB4CHRNA3
SCHEMBL5076789 0.69 ADRA1D (0.50) DRD2HRH3TP53

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-0505465-A1 PIPERIDINE COMPOUNDS AND A PHARMACEUTICAL COMPOSITION. NOVO NORDISK AS (DK) 1992-09-30 EP disclosed
WO-1991009032-A1 PIPERIDINE COMPOUNDS AND A PHARMACEUTICAL COMPOSITION NOVO NORDISK A/S (DK) 1991-06-27 WO disclosed