SCHEMBL857602

SCHEMBL857602

Cc1cc(Br)ccc1NC(=O)C1[C@H](C(=O)O)[C@H]2C=C[C@@H]1C21CC1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 15/20 0.66
PKM P14618 1/20 0.64
FPR3 P25089 9/20 0.63
ALDH1A1 P00352 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL2682272 1.00 FPR2 (0.66) FPR2PKMFPR3ALDH1A1SMN1; SMN2
SCHEMBL855189 0.88 FPR2 (0.61) FPR2PKMFPR3HPGDHTT
SCHEMBL2682432 0.88 FPR2 (0.61) FPR2PKMFPR3HPGDHTT
SCHEMBL855432 0.86 FPR2 (0.66) FPR2PKMFPR3ALDH1A1SMN1; SMN2
SCHEMBL2682336 0.86 FPR2 (0.66) FPR2PKMFPR3ALDH1A1SMN1; SMN2
SCHEMBL855215 0.80 FPR2 (1.00) FPR2FPR3ALDH1A1SMN1; SMN2
SCHEMBL2682702 0.80 FPR2 (1.00) FPR2FPR3ALDH1A1SMN1; SMN2
SCHEMBL2683879 0.80 FPR2 (1.00) FPR2FPR3ALDH1A1SMN1; SMN2
SCHEMBL16008361 0.80 FPR2 (1.00) FPR2FPR3ALDH1A1SMN1; SMN2
SCHEMBL2684211 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