SCHEMBL9250459

SCHEMBL9250459

O=C1c2ccccc2C(=O)N1CCN1CCN(C(c2ccc(F)cc2)c2ccccn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.54
DRD3 P35462 4/20 0.54
ACHE P22303 3/20 0.49
HTR1A P08908 2/20 0.46
MAOB P27338 3/20 0.45
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL9250007 0.91 DRD2 (0.65) DRD2DRD3HTR1AMAOBALDH1A1
SCHEMBL9254262 0.89 DRD2 (0.51) DRD2DRD3HTR1AMAOBALDH1A1
SCHEMBL9250065 0.88 DRD2 (0.68) DRD2DRD3ACHEMAOBALDH1A1
SCHEMBL9255788 0.82 ACHE (0.52) DRD2DRD3ACHEHTR1ASLC6A2
SCHEMBL27342830 0.82 ACHE (0.52) DRD2DRD3ACHEHTR1ASLC6A2
SCHEMBL9256276 0.81 DRD2 (0.81) DRD2DRD3ACHEHTR1AMAOB
SCHEMBL9258386 0.81 DRD2 (0.77) DRD2DRD3ACHEHTR1AMAOB
SCHEMBL9256958 0.80 DRD2 (0.79) DRD2DRD3ACHEHTR1AMAOB
SCHEMBL9733689 0.78 DRD2 (0.84) DRD2DRD3HTR1AMAOBALDH1A1
SCHEMBL31232750 0.78 DRD2 (0.84) DRD2DRD3HTR1AMAOBALDH1A1

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
US-5470851-A Antihistamine, anticoagulants SANKYO COMPANY, LIMITED (JP) 1995-11-28 US disclosed
EP-0463873-A1 Thiazolidinecarboxylic acid amide derivatives having anti-allergic activity, their preparation and their use Sankyo Company Limited (JP) 1992-01-02 EP disclosed