SCHEMBL7365098

SCHEMBL7365098

N=C(N)c1ccc2[nH]c(CC(=O)N3CCC(Cc4ccccc4)CC3)cc2c1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 13/20 0.61
TP53 P04637 1/20 0.58
HSD17B10 Q99714 1/20 0.58
GRIN2D O15399 1/20 0.52
GRIN3B O60391 1/20 0.52
GRIN1 Q05586 1/20 0.52
GRIN2A Q12879 1/20 0.52
GRIN2B Q13224 1/20 0.52
GRIN2C Q14957 1/20 0.52
GRIN3A Q8TCU5 1/20 0.52
PRSS1 P07477 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
F10 P00742 1/20 0.49
TACR3 P29371 1/20 0.47

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
SCHEMBL7364712 0.90 F2 (0.64) F2TP53HSD17B10GRIN2DGRIN3B
SCHEMBL8158003 0.84 GRIN2D (0.73) F2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7368689 0.83 F2 (0.60) F2TP53HSD17B10GRIN1GRIN2B
SCHEMBL7370469 0.82 TP53 (0.59) TP53HSD17B10GRIN2DGRIN3BGRIN1
SCHEMBL7365964 0.80 TACR3 (0.63) F2TP53HSD17B10GRIN2BPRSS1
SCHEMBL7365097 0.76 F2 (1.00) F2PRSS1F10
SCHEMBL7365961 0.74 MEN1 (0.69) F2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7362115 0.74 F2 (0.82) F2PRSS1F10
SCHEMBL5203581 0.74 GAA (0.54) TP53GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL23682656 0.72 TACR3 (0.83) TP53HSD17B10MEN1KMT2ATACR3

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-0960102-A1 AMIDINOINDOLES, AMIDINOAZOLES, AND ANALOGS THEREOF AS INHIBITORS OF FACTOR Xa AND OF THROMBIN Du Pont Pharmaceuticals Company (US) 1999-12-01 EP disclosed
WO-1998001428-A1 AMIDINOINDOLES, AMIDINOAZOLES, AND ANALOGS THEREOF AS INHIBITORS OF FACTOR Xa AND OF THROMBIN DU PONT PHARMACEUTICALS COMPANY (US) 1998-01-15 WO disclosed