SCHEMBL8933156

SCHEMBL8933156

COc1cc(C[C@H](N=CC(=O)O)C(=O)N2CCC[C@@]2(CC(=O)O)C(=O)NCc2ccc(C(=N)N)nc2)cc(OC)c1OC

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.35
F10 P00742 1/20 0.33
PLG P00747 1/20 0.33
PLAT P00750 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
F7 P08709 1/20 0.33
F3 P13726 1/20 0.33
PPIB P23284 1/20 0.32
PROC P04070 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CYP3A4 P08684 1/20 0.30
CTSD P07339 1/20 0.30
THRB P10828 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
SCHEMBL8781243 0.73 F2 (0.40) F2F10PLGPLATPRSS1
Hydrochloric Acid SCHEMBL8721658 0.64 F2 (0.40) F2F10PLGPLATPRSS1
Hydrochloric Acid SCHEMBL8933094 0.64 F2 (0.38) F2F10PLGPLATPRSS1
SCHEMBL7987916 0.63 F2 (0.39) F2F10PLGPLATPRSS1
SCHEMBL8725592 0.63 F2 (0.33) F2F10PLGPLATPRSS1
Hydrochloric Acid SCHEMBL8721688 0.61 F2 (0.36) F2F10PLGPLATPRSS1
Hydrochloric Acid SCHEMBL8725648 0.61 F2 (0.36) F2F10PLGPLATPRSS1
SCHEMBL6476434 0.61 OPRM1 (0.46) F2PRSS1
SCHEMBL7355230 0.61 F2 (0.44) F2F10PROC
Acetic Acid SCHEMBL6476797 0.60 F2 (0.41) F2F10PLGPLATPRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996025426-A1 NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1996-08-22 WO disclosed