SCHEMBL6155884

SCHEMBL6155884

CN(C)c1ccc2c(c1)C(N(C)C)c1ccccc1-2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.68
HRH3 Q9Y5N1 1/20 0.45
SLC22A2 O15244 1/20 0.42
SLC22A3 O75751 1/20 0.42
PDK2 Q15119 1/20 0.40
ALDH1A1 P00352 5/20 0.36
TSHR P16473 3/20 0.34
HSD17B10 Q99714 2/20 0.34
ALOX15 P16050 1/20 0.34
KMT2A Q03164 2/20 0.34
PSMB5 P28074 2/20 0.33
TERT O14746 1/20 0.33
APP P05067 1/20 0.33
MEN1 O00255 1/20 0.33
RAB9A P51151 1/20 0.33
PTK2B Q14289 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL1509312 0.82 GPR3 (1.00) GPR3HRH3SLC22A2SLC22A3KMT2A
Hydrochloric Acid SCHEMBL7195502 0.81 GPR3 (0.41) GPR3SLC22A2SLC22A3PDK2ALDH1A1
SCHEMBL28709520 0.80 GPR3 (0.95) GPR3HRH3SLC22A2SLC22A3KMT2A
SCHEMBL6855217 0.80 GPR3 (0.55) GPR3SLC22A2SLC22A3ALDH1A1HSD17B10
SCHEMBL5526151 0.79 PDK2 (0.50) GPR3HRH3PDK2ALDH1A1TSHR
SCHEMBL28329563 0.75 HDAC3 (0.42) GPR3PDK2ALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL7200396 0.73 ALDH1A1 (0.40) PDK2ALDH1A1TSHRHSD17B10ALOX15
SCHEMBL14746024 0.69 GPR3 (0.40) GPR3HRH3SLC22A2SLC22A3ALDH1A1
SCHEMBL10111159 0.69 GPR3 (0.52) GPR3HRH3ALDH1A1TSHRHSD17B10
SCHEMBL6676651 0.68 GPR3 (0.62) GPR3HRH3SLC22A2SLC22A3PDK2

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-1553985-A2 BIPHENYLS AND FLUORENES AS IMAGING AGENTS IN ALZHEIMER'S DISEASE The Trustees of The University of Pennsylvania (US) 2005-07-20 EP disclosed
WO-2004032975-A2 BIPHENYLS AND FLUORENES AS IMAGING AGENTS IN ALZHEIMER'S DISEASE THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2004-04-22 WO disclosed