SCHEMBL7987916

SCHEMBL7987916

C[C@H](N=CC(=O)OC(C)(C)C)C(=O)N1CCC[C@]1(C(=O)NCc1ccc(C(=N)N)nc1)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 13/20 0.39
F10 P00742 1/20 0.37
PLG P00747 1/20 0.37
PLAT P00750 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
NAMPT P43490 1/20 0.32
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
PPIB P23284 1/20 0.30
HSD11B1 P28845 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
SCHEMBL7973611 0.87 NAMPT (0.37) NAMPT
SCHEMBL8722553 0.84
SCHEMBL7987041 0.81 NAMPT (0.37) F2F10PLGPLATPRSS1
SCHEMBL7049735 0.81 F2 (0.40) F2F10PLGPLATPRSS1
SCHEMBL7049734 0.77 NAMPT (0.37) F2F10PLGPLATPRSS1
Hydrochloric Acid SCHEMBL8721658 0.76 F2 (0.40) F2F10PLGPLATPRSS1
SCHEMBL7991189 0.75 F2 (0.44) F2F10PLGPLATPRSS1
SCHEMBL7047178 0.75 F2 (0.48) F2F10PLGPLATPRSS1
SCHEMBL8725900 0.74 F2 (0.31) F2
Hydrochloric Acid SCHEMBL8933094 0.73 F2 (0.38) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6204385-B1 REACTING THE CORRESPONDING NITRILE WITH AMMONIA, AMINE OR HYDRAZINE IN THE PRESENCE OF A MERCAPTOCARBOXYLIC ACID BASF AKTIENGESELLSCHAFT (DE) 2001-03-20 US disclosed
EP-0931069-B1 PROCESS FOR PREPARING AMIDINES BASF AG (DE) 2000-11-29 EP disclosed
EP-0931069-A1 PROCESS FOR PREPARING AMIDINES BASF AKTIENGESELLSCHAFT (DE) 1999-07-28 EP disclosed
WO-1998009950-A1 PROCESS FOR PREPARING AMIDINES BASF AKTIENGESELLSCHAFT (DE) 1998-03-12 WO disclosed