SCHEMBL7344477

SCHEMBL7344477

CCOC(=O)CN1CCC(N2CCN(c3ccc(C(=N)N)cc3)CC2)CC1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.72
ITGA2B P08514 11/20 0.72
ALOX15 P16050 1/20 0.71
PRSS1 P07477 4/20 0.47
PRSS2 P07478 4/20 0.47
PRSS3 P35030 4/20 0.47
F2 P00734 2/20 0.47
TMPRSS6 Q8IU80 2/20 0.47
ST14 Q9Y5Y6 2/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
F10 P00742 1/20 0.42

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
Trifluoroacetic Acid SCHEMBL7341381 0.94 ITGB3 (0.68) ITGB3ITGA2BALOX15PRSS1PRSS2
SCHEMBL8044020 0.87 ITGB3 (0.55) ITGB3ITGA2BALOX15PRSS1PRSS2
SCHEMBL8688555 0.87 ITGB3 (0.54) ITGB3ITGA2BALOX15PRSS1PRSS2
SCHEMBL7345347 0.86 ITGB3 (0.71) ITGB3ITGA2BALOX15PRSS1PRSS2
Hydrochloric Acid SCHEMBL8034450 0.86 ALOX15 (0.56) ITGB3ITGA2BALOX15PRSS1PRSS2
SCHEMBL7356492 0.85 F2 (0.52) ITGB3ITGA2BALOX15PRSS1PRSS2
SCHEMBL6839445 0.84 ITGB3 (1.00) ITGB3ITGA2BALOX15PRSS1PRSS2
Hydrochloric Acid SCHEMBL8688005 0.84 ALOX15 (0.53) ITGB3ITGA2BALOX15PRSS1PRSS2
SCHEMBL27417535 0.83 ITGB3 (0.72) ITGB3ITGA2BALOX15PRSS1PRSS2
SCHEMBL7310389 0.83 ITGB3 (0.52) ITGB3ITGA2BALOX15KMT2AMEN1

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-0612313-A1 PIPERIDINE ACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1994-08-31 EP 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