SCHEMBL8744973

SCHEMBL8744973

COc1ccccc1N1CCN(Cc2ccc(CC(=O)O)cc2)CC1

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.70
HTR7 P34969 3/20 0.67
POLB P06746 1/20 0.64
DRD4 P21917 4/20 0.61
DRD2 P14416 4/20 0.61
DRD3 P35462 3/20 0.61
KDM4E B2RXH2 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
MAPT P10636 1/20 0.60
TSHR P16473 1/20 0.60
ALDH1A1 P00352 1/20 0.59
HRH2 P25021 1/20 0.58
HRH1 P35367 1/20 0.58

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
SCHEMBL9225440 0.87 MAPK1 (0.81) MAPK1HTR7DRD4DRD2DRD3
SCHEMBL9720681 0.84 MAPK1 (0.78) MAPK1HTR7DRD4DRD2DRD3
SCHEMBL8744984 0.83 ATM (0.70) HTR7DRD4DRD2KDM4ESMN1; SMN2
SCHEMBL6031726 0.83 MAPK1 (0.80) MAPK1HTR7DRD4DRD2DRD3
SCHEMBL6031061 0.83 MAPK1 (0.80) MAPK1HTR7DRD4DRD2DRD3
SCHEMBL18177886 0.83 MAPK1 (1.00) MAPK1HTR7DRD4DRD2DRD3
SCHEMBL19561754 0.83 MAPK1 (0.80) MAPK1HTR7DRD4DRD2DRD3
Hydrochloric Acid SCHEMBL8745009 0.82 ATM (0.68) HTR7DRD4DRD2KDM4ESMN1; SMN2
Bromide SCHEMBL6575673 0.82 MAPK1 (0.78) MAPK1HTR7DRD4DRD2DRD3
SCHEMBL8640886 0.81 MAPK1 (0.69) MAPK1HTR7DRD4DRD2DRD3

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-0753515-A2 Benzylpiperazine derivatives as antiallergic and anti-inflammatory agents Senju Pharmaceutical Co., Ltd. (JP) 1997-01-15 EP claimed
EP-0753515-A2 Benzylpiperazine derivatives as antiallergic and anti-inflammatory agents Senju Pharmaceutical Co., Ltd. (JP) 1997-01-15 EP disclosed