SCHEMBL6923656

SCHEMBL6923656

Cc1ccsc1-c1nc2c(C)nc3ccccc3c2n1CCC1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 1/20 0.38
NPY1R P25929 3/20 0.36
MERTK Q12866 1/20 0.35
SLC6A4 P31645 1/20 0.34
CYP1A2 P05177 4/20 0.32
HSD17B10 Q99714 1/20 0.32
ADRB1 P08588 1/20 0.32
NCF1 P14598 1/20 0.32
ACP1 P24666 3/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
CYP3A4 P08684 3/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 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
SCHEMBL6926022 0.91 NPY1R (0.39) HTR4NPY1RMERTKSLC6A4ACP1
SCHEMBL6833988 0.89 HTR4 (0.36) HTR4NPY1RMERTKSLC6A4CYP1A2
SCHEMBL6924606 0.86 HTR4 (0.39) HTR4NPY1RMERTKSLC6A4ACP1
SCHEMBL6929021 0.86 KDM4E (0.40) HTR4NPY1RCYP1A2HSD17B10ACP1
SCHEMBL6928192 0.85 HTR4 (0.42) HTR4NPY1RMERTKSLC6A4ACP1
SCHEMBL6925839 0.83 HTR4 (0.39) HTR4NPY1RMERTKSLC6A4HSD17B10
SCHEMBL6924876 0.81 HTR4 (0.39) HTR4NPY1RMERTKSLC6A4ACP1
SCHEMBL6927438 0.81 KDM4E (0.40) HTR4NPY1RMERTKSLC6A4HSD17B10
SCHEMBL6928365 0.81 AVPR2 (0.39) HTR4NPY1RMERTKSLC6A4CYP1A2
SCHEMBL6927485 0.80 ALDH1A1 (0.43) HTR4NPY1RHSD17B10TSHRKDM4E

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
US-6518265-B1 1H-imidazopyridine derivatives HOKURIKU SEIYAKU CO., LTD. (JP) 2003-02-11 US disclosed
EP-1104764-A1 1H-IMIDAZOPYRIDINE DERIVATIVES HOKURIKU SEIYAKU CO., LTD. (JP) 2001-06-06 EP disclosed