SCHEMBL2327503

SCHEMBL2327503

CC(=O)c1ccc(Cn2ncc(NC(=O)c3ncoc3-c3cccc(OC(F)(F)F)c3)n2)o1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 12/20 0.57
HCRTR2 O43614 5/20 0.56
HCRTR1 O43613 3/20 0.56
CACNA1H O95180 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
GSK3B P49841 1/20 0.41

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
SCHEMBL2327045 0.91 FPR2 (0.65) FPR2HCRTR2HCRTR1GSK3B
SCHEMBL2327727 0.89 HCRTR2 (0.58) FPR2HCRTR2HCRTR1
SCHEMBL2324608 0.89 FPR2 (0.69) FPR2HCRTR2HCRTR1CACNA1H
SCHEMBL2330879 0.88 HCRTR2 (0.60) FPR2HCRTR2HCRTR1
SCHEMBL1166044 0.88 HCRTR2 (0.56) FPR2HCRTR2HCRTR1CACNA1HHDAC1
SCHEMBL2328926 0.87 HCRTR2 (0.72) FPR2HCRTR2HCRTR1
SCHEMBL2328979 0.86 FPR2 (0.64) FPR2HCRTR2HCRTR1
SCHEMBL2323231 0.86 FPR2 (0.68) FPR2HCRTR2HCRTR1GSK3B
SCHEMBL2328204 0.86 HCRTR2 (0.58) FPR2HCRTR2HCRTR1
SCHEMBL2327838 0.86 HCRTR2 (0.58) FPR2HCRTR2HCRTR1

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
EP-2225231-B1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-08-17 EP claimed
EP-2225231-B1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-08-17 EP disclosed