SCHEMBL856708

SCHEMBL856708

O=C(NCCc1ccc(Cl)cc1)C1[C@H](C(=O)O)[C@H]2C=C[C@@H]1C21CC1

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FPR3 P25089 14/20 0.76
FPR2 P25090 14/20 0.69
ALDH1A1 P00352 2/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
CASP1 P29466 1/20 0.54
HSD17B10 Q99714 1/20 0.54
NPSR1 Q6W5P4 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49

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
SCHEMBL2682166 1.00 FPR3 (0.76) FPR3FPR2ALDH1A1SMN1; SMN2CASP1
SCHEMBL2683287 0.87 FPR3 (0.74) FPR3FPR2ALDH1A1SMN1; SMN2
SCHEMBL2684819 0.86 FPR3 (1.00) FPR3FPR2
SCHEMBL2683884 0.85 FPR3 (1.00) FPR3FPR2ALDH1A1SMN1; SMN2
SCHEMBL856921 0.84 FPR3 (0.71) FPR3FPR2ALDH1A1SMN1; SMN2TAAR1
SCHEMBL2683547 0.84 FPR3 (0.71) FPR3FPR2ALDH1A1SMN1; SMN2TAAR1
SCHEMBL2684094 0.82 FPR3 (1.00) FPR3FPR2SMN1; SMN2
SCHEMBL2682189 0.82 FPR3 (1.00) FPR3FPR2
SCHEMBL20013750 0.78 ALDH1A1 (1.00) FPR3FPR2ALDH1A1SMN1; SMN2
SCHEMBL2683323 0.76 FPR3 (1.00) FPR3FPR2

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
EP-2432760-A1 BRIDGED SPIRO [2.4]HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2012-03-28 EP disclosed