SCHEMBL7295015

SCHEMBL7295015

N=C(N)c1ncc(N2CCN(C3CCC(O)(CC(=O)O)CC3)CC2)cn1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.45
ITGA2B P08514 6/20 0.45
ALOX15 P16050 1/20 0.44
AOC3 Q16853 2/20 0.40
HRH3 Q9Y5N1 6/20 0.35
HSD11B1 P28845 1/20 0.33
KDM4E B2RXH2 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PTPN11 Q06124 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL7294952 1.00 ITGB3 (0.45) ITGB3ITGA2BALOX15AOC3HRH3
SCHEMBL7294985 1.00 ITGB3 (0.45) ITGB3ITGA2BALOX15AOC3HRH3
SCHEMBL7294022 0.86 ITGB3 (0.47) ITGB3ITGA2BALOX15AOC3HRH3
SCHEMBL7294060 0.86 ITGB3 (0.47) ITGB3ITGA2BALOX15AOC3HRH3
SCHEMBL7294036 0.86 ITGB3 (0.47) ITGB3ITGA2BALOX15AOC3HRH3
SCHEMBL7295272 0.85 AOC3 (0.43) ITGB3ITGA2BALOX15AOC3HRH3
SCHEMBL7295259 0.85 AOC3 (0.43) ITGB3ITGA2BALOX15AOC3HRH3
SCHEMBL7297997 0.82 ITGB3 (0.67) ITGB3ITGA2BALOX15HRH3
SCHEMBL7298004 0.82 ITGB3 (0.67) ITGB3ITGA2BALOX15HRH3
SCHEMBL7298008 0.82 ITGB3 (0.67) ITGB3ITGA2BALOX15HRH3

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 4 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-0609282-A1 CYCLOHEXANEACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1994-08-10 EP disclosed
WO-1993008181-A1 CYCLOHEXANEACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1993-04-29 WO disclosed
EP-0537980-A1 Cyclohexaneacetic acid derivatives as inhibitors of fibrinogen-dependent blood platelet aggregation GLAXO GROUP LIMITED (GB) 1993-04-21 EP disclosed