SCHEMBL4443786

SCHEMBL4443786

c1ccc(NCCN2CCN(c3ccncc3)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.61
HRH1 P35367 3/20 0.58
HRH3 Q9Y5N1 3/20 0.58
HRH2 P25021 2/20 0.58
DRD2 P14416 5/20 0.51
HTR1A P08908 4/20 0.51
DRD3 P35462 1/20 0.49
KCNH2 Q12809 1/20 0.49

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
SCHEMBL17654095 0.89 HTR7 (0.74) HTR7DRD2HTR1AKCNH2
SCHEMBL14409559 0.82 CYP3A4 (0.46) HTR7HRH1HRH3DRD2
SCHEMBL7737516 0.82 HTR7 (0.58) HTR7DRD2DRD3
SCHEMBL8636247 0.80 DPP7 (0.61) HRH1HRH3HRH2DRD2HTR1A
SCHEMBL10118660 0.78 DRD2 (0.51) HRH1HRH3HRH2DRD2DRD3
Hydrochloric Acid SCHEMBL27908881 0.76 DRD2 (0.72) DRD2
SCHEMBL2127950 0.76 HRH3 (0.55) HRH3DRD3
SCHEMBL4932045 0.76 DPP7 (0.58) HTR7DRD3
SCHEMBL8010491 0.75 DRD2 (0.60) HTR7HRH1DRD2HTR1ADRD3
SCHEMBL6671580 0.75 CYP3A4 (0.56)

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-2074083-A1 NEW SULFONAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS Richter Gedeon NYRT (HU) 2009-07-01 EP disclosed
WO-2008050168-A1 NEW SULFONAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2008-05-02 WO disclosed