SCHEMBL8558668

SCHEMBL8558668

N=C(N)c1ccc(N2CC[N]C2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.51
PRSS1 P07477 4/20 0.51
PRSS3 P35030 3/20 0.51
PRSS2 P07478 2/20 0.51
TMPRSS6 Q8IU80 2/20 0.51
ST14 Q9Y5Y6 2/20 0.51
F10 P00742 2/20 0.49
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
ITGB3 P05106 14/20 0.44
ITGA2B P08514 14/20 0.44
MASP2 O00187 1/20 0.41
PLAU P00749 1/20 0.41
THPO P40225 1/20 0.41
APEX1 P27695 1/20 0.40

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
SCHEMBL6316932 0.74 F2 (0.51) F2PRSS1PRSS3PRSS2TMPRSS6
SCHEMBL2490664 0.73 SIGMAR1 (0.57)
SCHEMBL6943882 0.73 ALDH1A1 (0.51) F2
SCHEMBL27351409 0.72 F2 (0.53) F2PRSS1PRSS3PRSS2TMPRSS6
SCHEMBL8030987 0.72 ALDH1A1 (0.68) F2PRSS1PRSS3PRSS2TMPRSS6
SCHEMBL3696484 0.72 CHKA (0.42)
SCHEMBL8579991 0.70 NOX4 (0.41)
SCHEMBL27350108 0.70 F2 (0.55) F2PRSS1PRSS3PRSS2TMPRSS6
SCHEMBL7316048 0.69 F2 (0.75) F2PRSS1PRSS3PRSS2TMPRSS6
SCHEMBL2403330 0.69 F2 (1.00) F2PRSS1PRSS3PRSS2TMPRSS6

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-0825994-A1 AMIDINE DERIVATIVES USEFUL AS ANTI-PLATELET AGGREGATION INHIBITORS AND VASODILATORS G.D. SEARLE & CO. (US) 1998-03-04 EP disclosed
WO-1996036639-A1 AMIDINE DERIVATIVES USEFUL AS ANTI-PLATELET AGGREGATION INHIBITORS AND VASODILATORS G.D. SEARLE & CO. (US) 1996-11-21 WO disclosed