SCHEMBL8300543

SCHEMBL8300543

CCN1CCC(c2cccc(O)c2)C1

nearest known ligand 0.83

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 11/20 0.78
DRD2 P14416 10/20 0.78
DRD4 P21917 9/20 0.74
HTR1A P08908 7/20 0.74
DRD1 P21728 7/20 0.74
DRD5 P21918 7/20 0.74
SIGMAR1 Q99720 3/20 0.66
NFKB1 P19838 1/20 0.66
PRCP P42785 1/20 0.66
EBP Q15125 1/20 0.66

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
SCHEMBL4819670 0.92 DRD2 (0.78) DRD3DRD2DRD4HTR1ADRD1
SCHEMBL7354319 0.91 DRD3 (0.80) DRD3DRD2DRD4HTR1ADRD1
SCHEMBL7316143 0.88 DRD3 (1.00) DRD3DRD2DRD4HTR1ADRD1
SCHEMBL29914667 0.83 DRD2 (1.00) DRD3DRD2DRD4HTR1ADRD1
SCHEMBL3454031 0.83 DRD2 (1.00) DRD3DRD2DRD4HTR1ADRD1
SCHEMBL11638019 0.83 DRD3 (0.76) DRD3DRD2DRD4HTR1ADRD1
SCHEMBL30878617 0.83 DRD3 (0.65) DRD3DRD2DRD4HTR1ADRD1
SCHEMBL21148630 0.81 DRD3 (0.54) DRD3DRD2DRD4HTR1ADRD1
SCHEMBL4827157 0.81 DRD2 (0.87) DRD3DRD2DRD4HTR1ADRD1
SCHEMBL8299573 0.80 DRD2 (0.52) DRD3DRD2DRD4HTR1ADRD1

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-0898569-A1 PIPERIDINES AND PYRROLIDINES MERCK PATENT GmbH (DE) 1999-03-03 EP disclosed
WO-1997040038-A1 PIPERIDINES AND PYRROLIDINES MERCK PATENT GMBH (DE) 1997-10-30 WO disclosed