SCHEMBL9254262

SCHEMBL9254262

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.51
DRD3 P35462 4/20 0.51
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
IDH1 O75874 2/20 0.43
HTR1A P08908 1/20 0.43
MAOB P27338 4/20 0.42
CYP2D6 P10635 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP3A5 P20815 1/20 0.42
HSP90AA1 P07900 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
OPRD1 P41143 1/20 0.42

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
SCHEMBL9250459 0.89 DRD2 (0.54) DRD2DRD3HTR1AMAOBALDH1A1
SCHEMBL9250007 0.88 DRD2 (0.65) DRD2DRD3IDH1HTR1AMAOB
SCHEMBL27340085 0.83 IDH1 (0.48) DRD2DRD3IDH1HTR1ACYP2D6
SCHEMBL9256523 0.83 IDH1 (0.48) DRD2DRD3IDH1HTR1ACYP2D6
SCHEMBL9249351 0.76 DRD2 (0.73) DRD2DRD3MAOBALDH1A1POLB
SCHEMBL9250065 0.76 DRD2 (0.68) DRD2DRD3ADRA1AADRA1BMAOB
SCHEMBL9733689 0.75 DRD2 (0.84) DRD2DRD3HTR1AMAOBALDH1A1
SCHEMBL31232750 0.75 DRD2 (0.84) DRD2DRD3HTR1AMAOBALDH1A1
SCHEMBL9253495 0.75 OPRD1 (0.49) IDH1CYP2D6CYP3A4CYP3A5KMT2A
SCHEMBL31232848 0.73 ADRA1D (0.73) DRD2ADRA1DADRA1AADRA1BHTR1A

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