SCHEMBL855540

SCHEMBL855540

O=C(Nc1ccc(Br)c(F)c1F)C1[C@H](C(=O)O)[C@H]2C=C[C@@H]1C21CC1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 17/20 0.63
FPR3 P25089 12/20 0.63
PKM P14618 1/20 0.56
ALDH1A1 P00352 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL2681991 1.00 FPR2 (0.63) FPR2FPR3PKMALDH1A1SMN1; SMN2
SCHEMBL2682240 0.87 FPR2 (0.60) FPR2FPR3PKM
SCHEMBL856281 0.87 FPR2 (0.60) FPR2FPR3PKM
SCHEMBL855432 0.82 FPR2 (0.66) FPR2FPR3PKMALDH1A1SMN1; SMN2
SCHEMBL2682336 0.82 FPR2 (0.66) FPR2FPR3PKMALDH1A1SMN1; SMN2
SCHEMBL855464 0.81 FPR2 (0.62) FPR2FPR3PKMALDH1A1SMN1; SMN2
SCHEMBL2683189 0.81 FPR2 (0.62) FPR2FPR3PKMALDH1A1SMN1; SMN2
SCHEMBL855746 0.80 FPR2 (0.68) FPR2FPR3
SCHEMBL2682633 0.80 FPR2 (0.68) FPR2FPR3
SCHEMBL2684065 0.78 FPR3 (1.00) FPR2FPR3

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