SCHEMBL855094

SCHEMBL855094

O=C(NCc1ccc(Br)cc1F)C1[C@H](C(=O)O)[C@H]2CC[C@@H]1C21CC1

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 16/20 0.76
FPR3 P25089 7/20 0.76
FPR1 P21462 1/20 0.56
P2RX7 Q99572 3/20 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
SCHEMBL2682966 1.00 FPR2 (0.76) FPR2FPR3FPR1P2RX7
SCHEMBL16674046 1.00 FPR2 (0.76) FPR2FPR3FPR1P2RX7
SCHEMBL855308 0.88 FPR2 (0.72) FPR2FPR3P2RX7
SCHEMBL2682776 0.88 FPR2 (0.72) FPR2FPR3P2RX7
SCHEMBL15242453 0.88 FPR2 (0.72) FPR2FPR3P2RX7
SCHEMBL2683054 0.86 FPR2 (1.00) FPR2FPR3P2RX7
SCHEMBL2683529 0.86 FPR2 (1.00) FPR2FPR3
SCHEMBL16668599 0.85 FPR2 (0.76) FPR2FPR3P2RX7
SCHEMBL2684126 0.85 FPR2 (0.79) FPR2FPR3P2RX7
SCHEMBL856545 0.84 FPR2 (0.76) 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 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