SCHEMBL8726018

SCHEMBL8726018

COc1cc(C(=N)N)ccc1CNC(=O)[C@]1(C2CCCCCCC2)CCCN1C(=O)CN=CC(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 13/20 0.33
EPHX2 P34913 2/20 0.32
F10 P00742 2/20 0.31
PRSS1 P07477 1/20 0.31
FPR3 P25089 1/20 0.31
FPR2 P25090 1/20 0.31
QRFPR Q96P65 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL8721666 0.91 F2 (0.35) F2F10PRSS1FPR3FPR2
SCHEMBL6477345 0.85 F2 (0.35) F2EPHX2F10PRSS1MEN1
SCHEMBL7049353 0.85 F2 (0.35) F2EPHX2F10PRSS1MEN1
SCHEMBL6487727 0.85 F2 (0.36) F2EPHX2F10PRSS1MEN1
SCHEMBL6483104 0.81 PDE4A (0.38) F2EPHX2F10PRSS1MEN1
SCHEMBL7047781 0.81 PDE4A (0.38) F2EPHX2F10PRSS1MEN1
SCHEMBL8933084 0.81 F2 (0.33) F2F10
SCHEMBL7049587 0.80 F2 (0.33) F2EPHX2MEN1KMT2A
SCHEMBL8933063 0.80 P2RX7 (0.34) F2EPHX2MEN1KMT2A
SCHEMBL8727226 0.80 F2 (0.34) F2F10PRSS1QRFPRMEN1

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-0873356-A1 NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1998-10-28 EP disclosed
WO-1996025426-A1 NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1996-08-22 WO disclosed