SCHEMBL9253472

SCHEMBL9253472

NCCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 7/20 0.66
DRD2 P14416 4/20 0.66
HRH1 P35367 4/20 0.65
KCNH2 Q12809 4/20 0.65
CHRM2 P08172 3/20 0.65
ADRA2A P08913 3/20 0.65
ADRA1A P35348 3/20 0.65
USP2 O75604 3/20 0.65
CYP2D6 P10635 3/20 0.65
HRH2 P25021 2/20 0.65
HTR2A P28223 2/20 0.65
HTR2B P41595 2/20 0.65
ABCB11 O95342 1/20 0.65
ADRA2B P18089 1/20 0.65
ADRA2C P18825 1/20 0.65
DRD4 P21917 1/20 0.65
HTR7 P34969 1/20 0.65
OPRK1 P41145 1/20 0.65
HTR5A P47898 1/20 0.65
HTR6 P50406 1/20 0.65

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
SCHEMBL20329228 0.96 DRD3 (0.68) DRD3DRD2HRH1KCNH2CHRM2
SCHEMBL4246056 0.92 DRD3 (0.66) DRD3DRD2HRH1KCNH2CHRM2
SCHEMBL7670965 0.91 DRD3 (0.72) DRD3DRD2HRH1KCNH2CHRM2
SCHEMBL4249527 0.91 DRD3 (0.61) DRD3DRD2HRH1KCNH2CHRM2
Hydrochloric Acid SCHEMBL10503557 0.89 DRD3 (0.69) DRD3DRD2HRH1KCNH2CHRM2
SCHEMBL16757158 0.87 DRD3 (0.78) DRD3DRD2HRH1KCNH2CHRM2
SCHEMBL12324774 0.87 DRD3 (0.78) DRD3DRD2HRH1KCNH2CHRM2
SCHEMBL3631349 0.87 DRD2 (0.63) DRD3DRD2LMNA
SCHEMBL16769339 0.86 DRD3 (0.67) DRD3DRD2HRH1KCNH2CHRM2
SCHEMBL16769338 0.86 DRD3 (0.67) DRD3DRD2HRH1KCNH2CHRM2

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 5 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
CN-1058780-A Has the active thiazolidine carboxylic acid amides derivative of anti-allergy, their preparation and application SANKYO CO (JP) 1992-02-19 CN 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
US-4591590-A ANTIALLERGINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-05-27 US disclosed
EP-0113226-A1 Benzhydrylpiperazine derivatives, processes for the preparation thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-07-11 EP disclosed