SCHEMBL9367388

SCHEMBL9367388

CC(C)COC(=O)CN1CCC(N2CCN(c3ccc(C(=N)N)cc3Br)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.49
ITGA2B P08514 2/20 0.49
ALOX15 P16050 1/20 0.48
F2 P00734 2/20 0.36
F7 P08709 1/20 0.36
GAA P10253 1/20 0.36
ALOX12 P18054 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CXCR3 P49682 1/20 0.34
KDM4E B2RXH2 4/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 3/20 0.33
F10 P00742 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
MBTD1 Q05BQ5 1/20 0.33
L3MBTL3 Q96JM7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTT P42858 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
SCHEMBL7337996 0.86 ITGB3 (0.52) ITGB3ITGA2BALOX15F2F7
SCHEMBL7344150 0.84 ITGB3 (0.69) ITGB3ITGA2BALOX15CXCR3MBTD1
Trifluoroacetic Acid SCHEMBL7339516 0.83 ITGB3 (0.49) ITGB3ITGA2BALOX15F2KDM4E
SCHEMBL7347695 0.77 ITGB3 (0.42) ITGB3ITGA2BALOX15GAAALOX12
SCHEMBL7343054 0.77 ITGB3 (0.53) ITGB3ITGA2BALOX15GAAALOX12
SCHEMBL7337792 0.75 ITGB3 (0.71) ITGB3ITGA2BALOX15GAAALOX12
Trifluoroacetic Acid SCHEMBL7339240 0.74 ITGB3 (0.51) ITGB3ITGA2BALOX15F2GAA
SCHEMBL7344477 0.74 ITGB3 (0.72) ITGB3ITGA2BALOX15F2F10
SCHEMBL7347541 0.74 ITGB3 (0.50) ITGB3ITGA2BALOX15F2GAA
SCHEMBL9371212 0.74 ITGB3 (0.50) ITGB3ITGA2BALOX15F2SMN1; SMN2

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-0612313-A1 PIPERIDINE ACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1994-08-31 EP disclosed
WO-1993010091-A2 PIPERIDINE ACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1993-05-27 WO disclosed