SCHEMBL855215

SCHEMBL855215

O=C(Nc1ccc(Br)cc1)C1[C@H](C(=O)O)[C@H]2C=C[C@@H]1C21CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 17/20 1.00
ALDH1A1 P00352 1/20 0.76
SMN1; SMN2 Q16637 1/20 0.76
FPR3 P25089 11/20 0.74
FPR1 P21462 1/20 0.67

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
SCHEMBL2682702 1.00 FPR2 (1.00) FPR2ALDH1A1SMN1; SMN2FPR3FPR1
SCHEMBL16008361 1.00 FPR2 (1.00) FPR2ALDH1A1SMN1; SMN2FPR3FPR1
SCHEMBL2683879 1.00 FPR2 (1.00) FPR2ALDH1A1SMN1; SMN2FPR3FPR1
SCHEMBL12040526 0.88 FPR2 (1.00) FPR2FPR3
SCHEMBL726966 0.87 FPR2 (0.78) FPR2ALDH1A1SMN1; SMN2FPR3
SCHEMBL727476 0.87 FPR2 (0.77) FPR2ALDH1A1SMN1; SMN2FPR3
SCHEMBL726819 0.86 FPR2 (1.00) FPR2ALDH1A1SMN1; SMN2FPR3
SCHEMBL20013750 0.86 ALDH1A1 (1.00) FPR2ALDH1A1SMN1; SMN2FPR3
SCHEMBL12040473 0.86 FPR2 (0.76) FPR2ALDH1A1SMN1; SMN2FPR3
SCHEMBL2683850 0.85 FPR2 (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 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