SCHEMBL9748539

SCHEMBL9748539

Nc1ncccc1OC1CCCc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.54
SLC6A4 P31645 2/20 0.46
ADRA2A P08913 2/20 0.40
ADRA1A P35348 2/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1B P35368 1/20 0.40
LTA4H P09960 1/20 0.39
MAPK14 Q16539 1/20 0.39
NOX1 Q9Y5S8 1/20 0.38
CYP2D6 P10635 2/20 0.37
HTR1A P08908 1/20 0.37
OPRM1 P35372 1/20 0.37
FFAR1 O14842 1/20 0.37
F2 P00734 1/20 0.37
F12 P00748 1/20 0.37
P2RX7 Q99572 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 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
SCHEMBL6027055 0.82 SLC9A3 (0.54) IDO1SLC6A4ADRA2AADRA1AADRA1D
SCHEMBL9738534 0.77 IDO1 (0.55) IDO1SLC6A4ADRA2AADRA1AADRA1D
SCHEMBL31180274 0.74 IDO1 (0.55) IDO1SLC6A4FFAR1GPR84SLC6A2
SCHEMBL31180243 0.74 IDO1 (0.55) IDO1SLC6A4FFAR1GPR84SLC6A2
SCHEMBL5712703 0.74 IDO1 (0.48) IDO1FFAR1P2RX7
SCHEMBL7834166 0.72 IDO1 (0.46) IDO1SLC6A4ADRA2AADRA1AADRA1D
SCHEMBL9117247 0.71 PDE4A (0.49) LTA4HMAPK14
SCHEMBL17319346 0.71 IDO1 (0.64) IDO1SLC6A4FFAR1GPR84SLC6A2
SCHEMBL31309223 0.71 LTA4H (0.47) ADRA2ALTA4HMAPK14HTR1A
SCHEMBL1520601 0.71 IDO1 (1.00) IDO1SLC6A4ADRA2AADRA1AADRA1D

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-0204285-B1 IMIDAZOHETEROCYCLIC COMPOUNDS PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-01-15 EP disclosed
US-4725601-A Certain imidazo[1,2-a]pyridines useful in the treatment of ulcers FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-02-16 US disclosed
EP-0204285-A1 Imidazoheterocyclic compounds processes for preparation thereof and pharmaceutical compositions comprising them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-12-10 EP disclosed