SCHEMBL9526010

SCHEMBL9526010

COc1ccccc1N1C[CH][N]CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.56
DRD3 P35462 3/20 0.56
CYP2C19 P33261 2/20 0.54
HTR3E A5X5Y0 1/20 0.54
HTR3B O95264 1/20 0.54
ADRB1 P08588 1/20 0.54
HTR3A P46098 1/20 0.54
HTR6 P50406 1/20 0.54
HTR3D Q70Z44 1/20 0.54
HTR3C Q8WXA8 1/20 0.54
SIGMAR1 Q99720 1/20 0.54
MAPT P10636 3/20 0.53
LMNA P02545 3/20 0.53
ALDH1A1 P00352 4/20 0.51
HPGD P15428 1/20 0.51
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
USP2 O75604 1/20 0.47

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
SCHEMBL217093 0.81 DRD2 (0.66) DRD2DRD3CYP2C19HTR3EHTR3B
SCHEMBL4794209 0.76 DRD2 (0.69) DRD2DRD3CYP2C19HTR3EHTR3B
SCHEMBL4071575 0.76 DRD2 (0.59) DRD2DRD3CYP2C19HTR3EHTR3B
SCHEMBL3165674 0.74 DRD2 (0.72) DRD2DRD3CYP2C19HTR3EHTR3B
SCHEMBL29138522 0.74 DRD2 (0.67) DRD2DRD3CYP2C19HTR3EHTR3B
SCHEMBL30407688 0.74 DRD2 (0.72) DRD2DRD3CYP2C19HTR3EHTR3B
SCHEMBL30720573 0.74 DRD2 (0.66) DRD2DRD3CYP2C19HTR3EHTR3B
SCHEMBL4065094 0.73 DRD2 (0.56) DRD2DRD3CYP2C19HTR3EHTR3B
SCHEMBL7773425 0.73 DRD2 (0.68) DRD2DRD3CYP2C19HTR3EHTR3B
SCHEMBL3174809 0.73 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0272478-B1 GLYCYRRHETIC ACID DERIVATIVES AND USE THEREOF SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1993-01-20 EP claimed
EP-0272478-B1 GLYCYRRHETIC ACID DERIVATIVES AND USE THEREOF SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1993-01-20 EP disclosed