SCHEMBL7352886

SCHEMBL7352886

CCCCOC(=O)CN1CCN(c2ccc(-c3ccc(C(=N)N)cc3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.49
ITGA2B P08514 10/20 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
ALOX15 P16050 1/20 0.47
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
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
MAPT P10636 3/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL7356492 0.89 F2 (0.52) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL7353174 0.83 F2 (0.49) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL18843703 0.81 GFER (0.53) MAPTTSHRS1PR1NPC1TP53
SCHEMBL7353169 0.81 ITGB3 (0.53) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL7358257 0.79 ITGB3 (0.71) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL14013923 0.78 HRH3 (0.57) MAPTNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL7344477 0.75 ITGB3 (0.72) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL6701211 0.75 ALDH1A1 (0.53) ITGB3ITGA2BMAPTHPGDTSHR
SCHEMBL16607366 0.74 MEN1 (0.49) ALOX15MAPTHPGDTSHRKMT2A
SCHEMBL14367434 0.73 ITGB3 (0.62) ITGB3ITGA2BF2PRSS1PRSS2

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-0637304-A1 1-PIPERAZINEACETIC DERIVATIVES AS FIBRINOGEN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 1995-02-08 EP claimed
WO-1993022303-A1 1-PIPERAZINEACETIC DERIVATIVES AS FIBRINOGEN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 1993-11-11 WO claimed