SCHEMBL9655435

SCHEMBL9655435

CCC(CCN1CCC(c2ccsc2)CC1)COc1ccc(OC)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.49
CCR2 P41597 1/20 0.38
OPRM1 P35372 1/20 0.38
TLR9 Q9NR96 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
SLC6A4 P31645 2/20 0.37
HRH3 Q9Y5N1 2/20 0.37
CCR5 P51681 1/20 0.36
KMT2A Q03164 1/20 0.36
DRD4 P21917 1/20 0.36

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
SCHEMBL9654170 0.90 DRD2 (0.50) DRD2TLR9TLR7SLC6A4HRH3
SCHEMBL9655196 0.89 HRH3 (0.44) HRH3
SCHEMBL9653371 0.86 KDM4E (0.45) DRD2CCR2SLC6A4HRH3CCR5
SCHEMBL5083239 0.85 DRD2 (0.56) DRD2OPRM1HRH3
SCHEMBL9654191 0.80 CCR2 (0.42) DRD2CCR2SLC6A4CCR5
SCHEMBL9652004 0.80 DRD2 (0.43) DRD2KMT2ADRD4
SCHEMBL5076789 0.74 ADRA1D (0.50) DRD2HRH3CCR5KMT2A
SCHEMBL9652034 0.73 DRD2 (0.47) DRD2SLC6A4HRH3KMT2A
SCHEMBL9912154 0.70 DRD2 (0.44) DRD2TLR9TLR7SLC6A4HRH3
SCHEMBL9094550 0.69 DRD2 (0.35) DRD2KMT2A

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