SCHEMBL9253963

SCHEMBL9253963

Fc1ccc(C(OC2CC[N]CC2)c2ccc(F)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.55
SLC6A2 P23975 4/20 0.55
DRD3 P35462 4/20 0.55
CHRM1 P11229 3/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
TSHR P16473 1/20 0.55
CYP2C19 P33261 1/20 0.55
HRH1 P35367 1/20 0.55
SLC6A4 P31645 1/20 0.55
DRD2 P14416 2/20 0.54
CHRM2 P08172 1/20 0.54
ADRA2A P08913 1/20 0.54
ADRA2B P18089 1/20 0.54
ADRA2C P18825 1/20 0.54
CHRM3 P20309 1/20 0.54
DRD5 P21918 1/20 0.54
HRH2 P25021 1/20 0.54
ADRA1D P25100 1/20 0.54

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
SCHEMBL9250346 0.94 SLC6A2 (0.51) SLC6A3SLC6A2DRD3CHRM1CYP1A2
SCHEMBL9250050 0.82 SLC6A3 (0.44) SLC6A3SLC6A2DRD3CHRM1CYP1A2
SCHEMBL2092340 0.82 DRD3 (0.55) SLC6A3DRD3CYP1A2CYP2D6TSHR
SCHEMBL8643817 0.81 DRD3 (0.59) SLC6A3SLC6A2DRD3CHRM1CYP1A2
SCHEMBL2096027 0.79 PDE2A (0.37) SLC6A3SLC6A2DRD3CHRM1CYP1A2
SCHEMBL6982214 0.79 SLC6A3 (0.55) SLC6A3SLC6A2DRD3CHRM1CYP1A2
Hydrochloric Acid SCHEMBL11199043 0.77 SLC6A2 (0.56) SLC6A3SLC6A2DRD3CHRM1CYP1A2
SCHEMBL9256723 0.77 DRD3 (0.54) SLC6A3SLC6A2DRD3CHRM1CYP1A2
SCHEMBL9257214 0.77 DRD3 (0.59) SLC6A3SLC6A2DRD3CHRM1CYP1A2
SCHEMBL2625667 0.75 SLC6A2 (0.64) SLC6A3SLC6A2DRD3CHRM1CYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

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