SCHEMBL855332

SCHEMBL855332

O=C(Nc1ccc(Br)nc1)C1[C@H](C(=O)O)[C@H]2CC[C@@H]1C21CC1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 19/20 0.71
FPR1 P21462 1/20 0.71
FPR3 P25089 4/20 0.55

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
SCHEMBL2682018 1.00 FPR2 (0.71) FPR2FPR1FPR3
SCHEMBL2682751 0.87 FPR2 (0.67) FPR2FPR1FPR3
SCHEMBL856721 0.87 FPR2 (0.67) FPR2FPR1FPR3
SCHEMBL2683071 0.83 FPR2 (1.00) FPR2FPR1FPR3
SCHEMBL726629 0.83 FPR2 (1.00) FPR2FPR1FPR3
SCHEMBL16009816 0.83 FPR2 (1.00) FPR2FPR1FPR3
SCHEMBL19549551 0.83 FPR2 (1.00) FPR2FPR1FPR3
SCHEMBL16008081 0.83 FPR2 (1.00) FPR2FPR1FPR3
SCHEMBL16008110 0.83 FPR2 (1.00) FPR2FPR1FPR3
SCHEMBL6126043 0.83 FPR2 (1.00) FPR2FPR1FPR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2640699-A2 BRIDGED SPIRO[2.4]HEPTANE ESTER DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2013-09-25 EP disclosed
WO-2012066488-A2 BRIDGED SPIRO[2.4]HEPTANE ESTER DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-05-24 WO disclosed
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