SCHEMBL7368689

SCHEMBL7368689

N=C(N)c1ccc2[nH]c(CC(=O)N3CCC(Cc4ccccc4)CC3)nc2c1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.60
PRSS1 P07477 4/20 0.50
HTR2B P41595 1/20 0.50
GRIN2B Q13224 2/20 0.49
TP53 P04637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
F10 P00742 1/20 0.48
GRIN1 Q05586 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL7365098 0.83 F2 (0.61) F2PRSS1GRIN2BTP53HSD17B10
SCHEMBL7365964 0.79 TACR3 (0.63) F2PRSS1GRIN2BTP53HSD17B10
SCHEMBL8158003 0.77 GRIN2D (0.73) F2GRIN2BGRIN1MEN1KMT2A
SCHEMBL7367339 0.77 GRIN2B (0.53) HTR2BGRIN2BTP53HSD17B10GRIN1
SCHEMBL7407065 0.75 F10 (0.56) F2PRSS1F10
SCHEMBL7367913 0.75 F2 (1.00) F2PRSS1F10LMNA
SCHEMBL5372866 0.75 GAA (0.52) F2GRIN2BGRIN1MEN1KMT2A
SCHEMBL7365097 0.74 F2 (1.00) F2PRSS1F10
SCHEMBL7364712 0.74 F2 (0.64) F2PRSS1GRIN2BTP53HSD17B10
Hydrochloric Acid SCHEMBL7409025 0.74 TPSAB1 (0.57) F2PRSS1F10

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