SCHEMBL7296178

SCHEMBL7296178

N=C(N)c1ccc(N2CCN([C@H]3CC[C@@](O)(CC(=O)O)CC3)CC2)c(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.47
ITGA2B P08514 16/20 0.47
ALOX15 P16050 1/20 0.46
F2 P00734 1/20 0.34
F7 P08709 1/20 0.34
MBTD1 Q05BQ5 1/20 0.34
L3MBTL3 Q96JM7 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL7296172 1.00 ITGB3 (0.47) ITGB3ITGA2BALOX15F2F7
SCHEMBL7296184 1.00 ITGB3 (0.47) ITGB3ITGA2BALOX15F2F7
SCHEMBL7306124 0.87 ITGB3 (0.39) ITGB3ITGA2BALOX15F2F7
SCHEMBL7306131 0.87 ITGB3 (0.39) ITGB3ITGA2BALOX15F2F7
SCHEMBL7303596 0.85 ITGB3 (0.45) ITGB3ITGA2BALOX15F2F7
SCHEMBL7303591 0.85 ITGB3 (0.45) ITGB3ITGA2BALOX15F2F7
SCHEMBL7303605 0.85 ITGB3 (0.45) ITGB3ITGA2BALOX15F2F7
SCHEMBL7298008 0.83 ITGB3 (0.67) ITGB3ITGA2BALOX15F2MEN1
SCHEMBL7297997 0.83 ITGB3 (0.67) ITGB3ITGA2BALOX15F2MEN1
SCHEMBL7298004 0.83 ITGB3 (0.67) ITGB3ITGA2BALOX15F2MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0537980-A1 Cyclohexaneacetic acid derivatives as inhibitors of fibrinogen-dependent blood platelet aggregation GLAXO GROUP LIMITED (GB) 1993-04-21 EP claimed
EP-0537980-A1 Cyclohexaneacetic acid derivatives as inhibitors of fibrinogen-dependent blood platelet aggregation GLAXO GROUP LIMITED (GB) 1993-04-21 EP disclosed