SCHEMBL7344150

SCHEMBL7344150

N=C(N)c1ccc(N2CCN(C3CCN(CC(=O)O)CC3)CC2)c(Br)c1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.69
ITGA2B P08514 15/20 0.69
ALOX15 P16050 1/20 0.68
CXCR3 P49682 1/20 0.38
MBTD1 Q05BQ5 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
WNT3A P56704 1/20 0.36

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
SCHEMBL7337792 0.88 ITGB3 (0.71) ITGB3ITGA2BALOX15CXCR3
SCHEMBL27418902 0.86 ITGB3 (0.68) ITGB3ITGA2BALOX15CXCR3
SCHEMBL7337996 0.86 ITGB3 (0.52) ITGB3ITGA2BALOX15CXCR3MBTD1
SCHEMBL9367388 0.84 ITGB3 (0.49) ITGB3ITGA2BALOX15CXCR3MBTD1
Trifluoroacetic Acid SCHEMBL7339516 0.84 ITGB3 (0.49) ITGB3ITGA2BALOX15
Trifluoroacetic Acid SCHEMBL7347536 0.83 ITGB3 (0.63) ITGB3ITGA2BALOX15
SCHEMBL7296178 0.82 ITGB3 (0.47) ITGB3ITGA2BALOX15MBTD1L3MBTL3
SCHEMBL7296172 0.82 ITGB3 (0.47) ITGB3ITGA2BALOX15MBTD1L3MBTL3
SCHEMBL7296184 0.82 ITGB3 (0.47) ITGB3ITGA2BALOX15MBTD1L3MBTL3
SCHEMBL6839445 0.82 ITGB3 (1.00) ITGB3ITGA2BALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0612313-A1 PIPERIDINE ACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1994-08-31 EP claimed
CN-1090273-A Acetogenin GLAXO GROUP LTD (GB) 1994-08-03 CN claimed
WO-1993010091-A2 PIPERIDINE ACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1993-05-27 WO claimed
EP-0542363-A2 Piperidineacetic acid derivatives as inhibitors of fibrinogen-dependent blood platelet aggregation GLAXO GROUP LIMITED (GB) 1993-05-19 EP claimed
EP-0542363-A2 Piperidineacetic acid derivatives as inhibitors of fibrinogen-dependent blood platelet aggregation GLAXO GROUP LIMITED (GB) 1993-05-19 EP disclosed