SCHEMBL4628159

SCHEMBL4628159

CCc1cc(OC)cc(CC)c1Cc1c[nH]cn1.c1ccc(-c2ccccc2Cc2c[nH]cn2)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 2/20 0.38
PLA2G2A P14555 3/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PLA2G1B P04054 6/20 0.35
MTNR1A P48039 3/20 0.34
MTNR1B P49286 3/20 0.34
TEK Q02763 1/20 0.34
METAP2 P50579 1/20 0.34
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
NPBWR1 P48145 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
PLA2G5 P39877 1/20 0.33
PLA2G2E Q9NZK7 1/20 0.33

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
SCHEMBL2103293 0.85 PDE10A (0.31)
SCHEMBL4628163 0.83 TEK (0.38) CD274PLA2G2AMTNR1AMTNR1BTEK
SCHEMBL2103787 0.81 DPP4 (0.43) CD274ALDH1A1PTGDR2
SCHEMBL3176254 0.80 KDM5B (0.36) SMN1; SMN2
SCHEMBL2104925 0.79 LTA4H (0.37) ALDH1A1
SCHEMBL2100697 0.77 DPYD (0.41) SMN1; SMN2
SCHEMBL4629061 0.76 PDE10A (0.32) SMN1; SMN2
SCHEMBL2103242 0.74 MAPT (0.31) ALDH1A1SMN1; SMN2
SCHEMBL2102304 0.74 TAAR1 (0.49)
SCHEMBL11047730 0.72 TAAR1 (0.36) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1981880-A2 USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-22 EP claimed
WO-2007085556-A2 USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 WO claimed
EP-1981880-A2 USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-22 EP disclosed
WO-2007085556-A2 USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 WO disclosed