SCHEMBL8845159

SCHEMBL8845159

CCCN(CCc1cccc(O)c1)[C@H]1CCc2cc3ccoc3cc2C1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 15/20 0.60
DRD3 P35462 12/20 0.60
DRD4 P21917 5/20 0.60
HTR1A P08908 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CYP2D6 P10635 2/20 0.53
ADRB2 P07550 1/20 0.53
CASP1 P29466 1/20 0.53
LMNA P02545 3/20 0.52
MAPT P10636 1/20 0.52
DRD1 P21728 5/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
THPO P40225 1/20 0.50
FYN P06241 1/20 0.50
PMP22 Q01453 1/20 0.49

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
SCHEMBL8845611 0.89 DRD3 (0.64) DRD2DRD3DRD4HTR1AMEN1
SCHEMBL8844914 0.88 DRD2 (0.57) DRD2DRD3DRD4HTR1AMEN1
SCHEMBL7439800 0.86 DRD3 (0.59) DRD2DRD3DRD4HTR1AMEN1
SCHEMBL8845326 0.85 DRD2 (0.58) DRD2DRD3DRD4HTR1ACYP2D6
SCHEMBL8845164 0.83 DRD3 (0.52) DRD2DRD3DRD4HTR1AFYN
SCHEMBL9585366 0.83 DRD2 (0.85) DRD2DRD3DRD4HTR1AMEN1
SCHEMBL8845139 0.82 DRD2 (0.52) DRD2DRD3DRD4CYP2D6
SCHEMBL8845373 0.80 DRD3 (0.53) DRD2DRD3DRD4HTR1AMEN1
SCHEMBL8845020 0.79 HTR1D (0.49) DRD2DRD3DRD4HTR1A
SCHEMBL8845112 0.78 DRD3 (0.51) DRD2DRD3DRD4HTR1AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5665765-A TREATMENT OF PARKINSON'S DISEASE, MEMORY DISORDERS, DISORDERS ASSOCIATED WITH DRUG ABUSE, DEPRESSION, AND PSYCHOTIC STATES ADIR ET COMPAGNIE (FR) 1997-09-09 US disclosed