SCHEMBL7991189

SCHEMBL7991189

N=C(N)c1ccc(CNC(=O)[C@]2(C3CCCCC3)CCCN2C(=O)CNC(CO)CO)cn1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 17/20 0.44
F10 P00742 2/20 0.43
PLG P00747 1/20 0.43
PLAT P00750 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
F7 P08709 2/20 0.34
PROC P04070 2/20 0.34
F3 P13726 1/20 0.33
HSD11B1 P28845 1/20 0.32
KLKB1 P03952 1/20 0.31
FPR2 P25090 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
SCHEMBL7047178 0.88 F2 (0.48) F2F10PLGPLATPRSS1
SCHEMBL7049735 0.83 F2 (0.40) F2F10PLGPLATPRSS1
Hydrochloric Acid SCHEMBL8721658 0.81 F2 (0.40) F2F10PLGPLATPRSS1
SCHEMBL6476613 0.76 F2 (0.42) F2F10PLGPLATPRSS1
SCHEMBL7049734 0.76 NAMPT (0.37) F2F10PLGPLATPRSS1
SCHEMBL7987916 0.75 F2 (0.39) F2F10PLGPLATPRSS1
Hydrochloric Acid SCHEMBL8933094 0.75 F2 (0.38) F2F10PLGPLATPRSS1
SCHEMBL6487745 0.72 ITGB3 (0.36) F2F10PLGPLATPRSS1
SCHEMBL7987041 0.72 NAMPT (0.37) F2F10PLGPLATPRSS1
SCHEMBL6486760 0.71 PRSS1 (0.38) F2PRSS1PRSS2PRSS3F7

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
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