SCHEMBL7339062

SCHEMBL7339062

C[N@+]1(CC(=O)O)CC[C@H](C2CCN(c3ccc(C(=N)N)cc3)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.52
ITGA2B P08514 15/20 0.52
ALOX15 P16050 1/20 0.49
F2 P00734 2/20 0.48
PRSS1 P07477 2/20 0.48
PRSS2 P07478 2/20 0.48
PRSS3 P35030 2/20 0.48
TMPRSS6 Q8IU80 2/20 0.48
ST14 Q9Y5Y6 2/20 0.48
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
GPR119 Q8TDV5 1/20 0.43
USP2 O75604 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
SCHEMBL7339058 1.00 ITGB3 (0.52) ITGB3ITGA2BALOX15F2PRSS1
Trifluoroacetic Acid SCHEMBL7341388 0.92 ITGB3 (0.45) ITGB3ITGA2BALOX15F2PRSS1
Trifluoroacetic Acid SCHEMBL7341384 0.92 ITGB3 (0.45) ITGB3ITGA2BALOX15F2PRSS1
SCHEMBL7343403 0.86 ITGB3 (0.65) ITGB3ITGA2BALOX15F2PRSS1
SCHEMBL7343399 0.86 ITGB3 (0.65) ITGB3ITGA2BALOX15F2PRSS1
SCHEMBL7347730 0.85 GPR119 (0.53) ITGB3ITGA2BALOX15F2PRSS1
SCHEMBL7345415 0.85 GPR119 (0.53) ITGB3ITGA2BALOX15F2PRSS1
SCHEMBL7348839 0.84 ITGB3 (0.55) ITGB3ITGA2BALOX15F2PRSS1
SCHEMBL7341394 0.82 GPR119 (0.41) ITGB3ITGA2BALOX15F2PRSS1
Trifluoroacetic Acid SCHEMBL7339218 0.80 ITGB3 (0.57) ITGB3ITGA2BALOX15F2PRSS1

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