SCHEMBL7264016

SCHEMBL7264016

C[C@H](OCc1ccccc1)[C@H](CCOc1ccc2c(c1)Cc1ccccc1-2)c1nc(C(N)=O)c[nH]1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.40
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
ADA P00813 5/20 0.36
S1PR1 P21453 5/20 0.33
S1PR3 Q99500 3/20 0.33
LNPEP Q9UIQ6 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
ALOX5 P09917 1/20 0.32
PTGES O14684 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
SCHEMBL7263874 0.87 ADA (0.43) MCHR1ADAS1PR1S1PR3PTGES
SCHEMBL7453012 0.86 ADA (0.48) ADAALOX5
SCHEMBL7258752 0.84 ATM (0.41) ADAALOX5
SCHEMBL7263602 0.82 PPARG (0.41) ADAALOX5
SCHEMBL7258926 0.81 MRGPRX4 (0.44) ADALNPEP
SCHEMBL7259591 0.81 LMNA (0.42) MCHR1ADA
SCHEMBL7263300 0.80 PDE10A (0.39) ADA
SCHEMBL5673392 0.79 ADA (0.55) MCHR1SLC1A3SLC1A2SLC1A1ADA
SCHEMBL7548118 0.78 MMP9 (0.32) SLC1A3SLC1A2SLC1A1ALOX5
SCHEMBL7448692 0.78 ADA (0.38) SLC1A3SLC1A2SLC1A1ADAALOX5

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-2003006437-A1 IMIDAZOLE DERIVATIVES AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-01-23 WO claimed