SCHEMBL856539

SCHEMBL856539

Cc1ccc(NC(=O)C2[C@H](C(=O)O)[C@H]3C=C[C@@H]2C32CC2)nc1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 10/20 0.69
FPR3 P25089 3/20 0.62
PKM P14618 1/20 0.57
ALDH1A1 P00352 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MAPT P10636 2/20 0.49
RAB9A P51151 1/20 0.49
POLB P06746 1/20 0.46
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL12040468 1.00 FPR2 (0.69) FPR2FPR3PKMALDH1A1SMN1; SMN2
SCHEMBL2681701 1.00 FPR2 (0.69) FPR2FPR3PKMALDH1A1SMN1; SMN2
SCHEMBL2682790 0.88 FPR2 (0.67) FPR2FPR3PKMALDH1A1SMN1; SMN2
SCHEMBL856566 0.88 FPR2 (0.67) FPR2FPR3PKMALDH1A1SMN1; SMN2
SCHEMBL2684236 0.85 FPR2 (0.69) FPR2FPR3PKMALDH1A1SMN1; SMN2
SCHEMBL726915 0.85 FPR2 (0.69) FPR2FPR3PKMALDH1A1SMN1; SMN2
SCHEMBL855563 0.85 FPR2 (0.69) FPR2FPR3PKMALDH1A1SMN1; SMN2
SCHEMBL2684181 0.82 FPR2 (1.00) FPR2FPR3
SCHEMBL12040473 0.82 FPR2 (0.76) FPR2FPR3PKMALDH1A1SMN1; SMN2
SCHEMBL2683136 0.78 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 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