SCHEMBL7294036

SCHEMBL7294036

N=C(N)c1ccc(N2CCN([C@H]3CC[C@@](O)(CC(=O)O)CC3)CC2)cn1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.47
ITGA2B P08514 7/20 0.47
ALOX15 P16050 1/20 0.47
HRH3 Q9Y5N1 8/20 0.45
AOC3 Q16853 1/20 0.38
HSD11B1 P28845 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MMP2 P08253 1/20 0.34
MMP13 P45452 1/20 0.34

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
SCHEMBL7294060 1.00 ITGB3 (0.47) ITGB3ITGA2BALOX15HRH3AOC3
SCHEMBL7294022 1.00 ITGB3 (0.47) ITGB3ITGA2BALOX15HRH3AOC3
SCHEMBL7295015 0.86 ITGB3 (0.45) ITGB3ITGA2BALOX15HRH3AOC3
SCHEMBL7294985 0.86 ITGB3 (0.45) ITGB3ITGA2BALOX15HRH3AOC3
SCHEMBL7294952 0.86 ITGB3 (0.45) ITGB3ITGA2BALOX15HRH3AOC3
SCHEMBL7299584 0.86 HRH3 (0.42) ITGB3ITGA2BALOX15HRH3AOC3
SCHEMBL7297997 0.84 ITGB3 (0.67) ITGB3ITGA2BALOX15HRH3MEN1
SCHEMBL7298004 0.84 ITGB3 (0.67) ITGB3ITGA2BALOX15HRH3MEN1
SCHEMBL7298008 0.84 ITGB3 (0.67) ITGB3ITGA2BALOX15HRH3MEN1
SCHEMBL7344590 0.82 ITGB3 (0.71) ITGB3ITGA2BALOX15HRH3HSD11B1

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