SCHEMBL7373337

SCHEMBL7373337

Nc1nccn1CCCC(N)C(=O)c1nccs1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 1/20 0.64
TLR8 Q9NR97 2/20 0.43
ALDH1A1 P00352 1/20 0.35
PLA2G4A P47712 2/20 0.33
F10 P00742 7/20 0.32
F2 P00734 4/20 0.31
CES1 P23141 1/20 0.31
CTSK P43235 1/20 0.31
KCNH2 Q12809 1/20 0.30

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
SCHEMBL20539252 0.79 ARG1 (1.00) ARG1TLR8
SCHEMBL20539253 0.79 ARG1 (1.00) ARG1TLR8
SCHEMBL21062468 0.79 ARG1 (1.00) ARG1TLR8
SCHEMBL7373336 0.78 TBXAS1 (0.44)
SCHEMBL22147484 0.78 ARG1 (0.76) ARG1TLR8ALDH1A1KCNH2
SCHEMBL7377556 0.77 ALDH1A1 (0.43) ARG1ALDH1A1PLA2G4AF10F2
SCHEMBL7950828 0.76 ALDH1A1 (0.42) ALDH1A1PLA2G4AF10F2CES1
SCHEMBL7375810 0.76 GSR (0.43) ALDH1A1PLA2G4AF10F2CES1
SCHEMBL22923264 0.76 ARG1 (0.72) ARG1TLR8ALDH1A1KCNH2
SCHEMBL25471583 0.74 ARG1 (0.71) ARG1TLR8ALDH1A1KCNH2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6057314-A ANTICOAGULANTS BIOCHEM PHARMA INC. (CA) 2000-05-02 US disclosed
CN-1175259-A Low molecular weight bicyclic thrombin inhibitors IAF BIOCHEM INT (CA) 1998-03-04 CN disclosed
WO-1996019483-A1 LOW MOLECULAR WEIGHT BICYCLIC THROMBIN INHIBITORS BIOCHEM PHARMA INC. (CA) 1996-06-27 WO disclosed