SCHEMBL855563

SCHEMBL855563

O=C(Nc1ccc(Br)cn1)C1[C@H](C(=O)O)[C@H]2C=C[C@@H]1C21CC1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 17/20 0.69
FPR3 P25089 10/20 0.62
ALDH1A1 P00352 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
PKM P14618 1/20 0.51

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
SCHEMBL2684236 1.00 FPR2 (0.69) FPR2FPR3ALDH1A1SMN1; SMN2PKM
SCHEMBL726915 1.00 FPR2 (0.69) FPR2FPR3ALDH1A1SMN1; SMN2PKM
SCHEMBL856665 0.87 FPR2 (0.59) FPR2FPR3
SCHEMBL2683985 0.87 FPR2 (0.59) FPR2FPR3
SCHEMBL12040468 0.85 FPR2 (0.69) FPR2FPR3ALDH1A1SMN1; SMN2PKM
SCHEMBL2681701 0.85 FPR2 (0.69) FPR2FPR3ALDH1A1SMN1; SMN2PKM
SCHEMBL856539 0.85 FPR2 (0.69) FPR2FPR3ALDH1A1SMN1; SMN2PKM
SCHEMBL2682210 0.82 FPR2 (0.78) FPR2FPR3
SCHEMBL2682702 0.82 FPR2 (1.00) FPR2FPR3ALDH1A1SMN1; SMN2
SCHEMBL855215 0.82 FPR2 (1.00) FPR2FPR3ALDH1A1SMN1; SMN2

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