SCHEMBL11150752

SCHEMBL11150752

COc1ccccc1N1CCN(I)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.71
DRD3 P35462 3/20 0.71
CYP2C19 P33261 2/20 0.64
HTR3E A5X5Y0 1/20 0.64
HTR3B O95264 1/20 0.64
ADRB1 P08588 1/20 0.64
HTR3A P46098 1/20 0.64
HTR6 P50406 1/20 0.64
HTR3D Q70Z44 1/20 0.64
HTR3C Q8WXA8 1/20 0.64
SIGMAR1 Q99720 1/20 0.64
LMNA P02545 4/20 0.62
MAPT P10636 3/20 0.62
ALDH1A1 P00352 3/20 0.56
GAA P10253 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
GFER P55789 1/20 0.56
ADRA1D P25100 1/20 0.56

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
SCHEMBL327835 0.83 DRD2 (1.00) DRD2DRD3CYP2C19HTR3EHTR3B
SCHEMBL3165674 0.82 DRD2 (0.72) DRD2DRD3CYP2C19HTR3EHTR3B
SCHEMBL30407688 0.82 DRD2 (0.72) DRD2DRD3CYP2C19HTR3EHTR3B
Hydrochloric Acid SCHEMBL8576226 0.81 DRD2 (0.96) DRD2DRD3CYP2C19HTR3EHTR3B
SCHEMBL1374764 0.81 DRD2 (0.71) DRD2DRD3CYP2C19HTR3EHTR3B
SCHEMBL2822342 0.81 DRD2 (0.71) DRD2DRD3CYP2C19HTR3EHTR3B
SCHEMBL3399759 0.81 DRD2 (0.71) DRD2DRD3CYP2C19HTR3EHTR3B
SCHEMBL1484038 0.81 DRD2 (0.71) DRD2DRD3CYP2C19HTR3EHTR3B
SCHEMBL3174809 0.81 DRD2 (0.70) DRD2DRD3CYP2C19HTR3EHTR3B
SCHEMBL3020451 0.81 DRD2 (0.70) DRD2DRD3CYP2C19HTR3EHTR3B

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
EP-0042162-B1 COMPOSITIONS FOR TREATING DISEASES IN CIRCULATORY ORGANS Chugai Seiyaku Kabushiki Kaisha (JP) 1983-11-23 EP disclosed