SCHEMBL8727237

SCHEMBL8727237

COc1cc(C(=N)N)ccc1CNC(=O)CNC1CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 5/20 0.45
F2 P00734 2/20 0.45
F10 P00742 1/20 0.45
PDE4A P27815 2/20 0.44
PDE4B Q07343 2/20 0.44
PDE4C Q08493 2/20 0.44
PDE4D Q08499 2/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 1/20 0.43
EPHX2 P34913 2/20 0.41
PLAU P00749 1/20 0.41

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
SCHEMBL6485834 0.78 F2 (0.48) F2
SCHEMBL6487722 0.78 F2 (0.50) F2
SCHEMBL8809659 0.75 KDM4E (0.59) F2
SCHEMBL21088553 0.72 KMT2A (0.50) MEN1KMT2APOLB
SCHEMBL21088503 0.72 HTT (0.50) MEN1KMT2A
SCHEMBL10143558 0.71 PRSS1 (0.55) PRSS1F2F10MEN1KMT2A
SCHEMBL5568118 0.71 EPHX2 (0.51) PRSS1F2PDE4APDE4BPDE4C
SCHEMBL5568337 0.70 EPHX2 (0.50) PRSS1F2PDE4APDE4BPDE4C
SCHEMBL11684656 0.70 PRSS1 (0.54) PRSS1F2F10MEN1KMT2A
SCHEMBL24872851 0.70 MEN1 (0.48) MEN1KMT2APOLB

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
EP-0873356-A1 NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1998-10-28 EP disclosed