SCHEMBL4794702

SCHEMBL4794702

Cc1cc2c(cn1)nc(CC1CC1)n2CCOCCCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.46
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SIGMAR1 Q99720 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
KCNH2 Q12809 1/20 0.37
CCR3 P51677 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
NPY1R P25929 1/20 0.36
RECQL P46063 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL5334551 0.82 HRH3 (0.45) HRH3MEN1KMT2ANPY1R
SCHEMBL4793258 0.74 TLR7 (0.41) HRH3
SCHEMBL4791607 0.72 HRH3 (0.45) HRH3MEN1KMT2ASMN1; SMN2SIGMAR1
SCHEMBL5343372 0.71 TLR7 (0.41) LMNA
SCHEMBL4795852 0.68 TLR7 (0.50) LMNAMAPT
SCHEMBL4792664 0.67 TLR7 (0.41) HRH3MEN1KMT2A
SCHEMBL6106739 0.67 MEN1 (0.47) HRH3MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6105787 0.66 SMN1; SMN2 (0.45) HRH3MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL6105345 0.66 TLR7 (0.53)
SCHEMBL6111526 0.65 TLR8 (0.54) HRH3MEN1KMT2ASMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513524-A4 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES CO (US) 2008-09-03 EP disclosed
EP-1513524-A2 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M Innovative Properties Company (US) 2005-03-16 EP disclosed
WO-2003103584-A2 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-12-18 WO disclosed