SCHEMBL4786975

SCHEMBL4786975

Nc1ccc(NCCc2c[nH]c3ccccc23)cc1Br

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.55
HTR6 P50406 3/20 0.55
HTR1A P08908 2/20 0.55
DRD2 P14416 2/20 0.55
HTR7 P34969 2/20 0.55
HRH3 Q9Y5N1 4/20 0.53
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HTT P42858 1/20 0.51
DRD1 P21728 1/20 0.51
DRD4 P21917 1/20 0.51
DRD5 P21918 1/20 0.51
DRD3 P35462 1/20 0.51
KMT2A Q03164 2/20 0.50
CDK2 P24941 2/20 0.50
GOT1 P17174 2/20 0.50
MEN1 O00255 1/20 0.50
MC5R P33032 1/20 0.50
MC3R P41968 1/20 0.50
MC1R Q01726 1/20 0.50

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
SCHEMBL8263255 0.81 HTR2A (0.65) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL28379250 0.79 MC5R (0.64) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL6599683 0.78 HTR2A (0.71) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL8111483 0.78 CDK2 (0.58) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL8050581 0.77 CDK2 (0.55) HTR2AHTR6HTR1ADRD2HTR7
Hydrochloric Acid SCHEMBL11602872 0.77 HTR2A (0.70) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL19778568 0.76 HRH3 (0.67) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL8048284 0.76 HTR2A (0.56) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL23341977 0.76 HTR2A (0.56) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL7015692 0.76 HRH3 (0.67) HTR2AHTR6HTR1ADRD2HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008132155-A2 INHIBITORS OF THE BINDING BETWEEN HDM2 AND THE PROTEASOME JANSSEN PHARMACEUTICA NV (BE) 2008-11-06 WO disclosed