SCHEMBL7306786

SCHEMBL7306786

CN[C@H](CC1CCCCC1)C(=O)N1CC[C@@H]2C[C@@]21C(=O)NCc1ccc(NC(=N)N)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 15/20 0.38
PROC P04070 1/20 0.38
PLAU P00749 1/20 0.36
HPN P05981 1/20 0.36
CFD P00746 1/20 0.34
F10 P00742 1/20 0.34
PLG P00747 1/20 0.34
PLAT P00750 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
F12 P00748 1/20 0.33
CPB2 Q96IY4 1/20 0.33

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
Hydrochloric Acid SCHEMBL7955408 0.99 F2 (0.38) F2PROCPLAUHPNCFD
SCHEMBL7315357 0.90 F2 (0.43) F2PROCCFDF10PLG
SCHEMBL7316063 0.89 F2 (0.38) F2PROCCFDF12
Hydrochloric Acid SCHEMBL7955368 0.88 F2 (0.38) F2PROCCFDF12
SCHEMBL7400135 0.79 F2 (0.61) F2PROCF10PLGPLAT
Hydrochloric Acid SCHEMBL7958396 0.79 F2 (0.60) F2PROCF10PLGPLAT
SCHEMBL7304476 0.78 F2 (0.47) F2PROCPRSS1PRSS2PRSS3
SCHEMBL7310191 0.78 F2 (0.47) F2PROCF10PRSS1PRSS2
Hydrochloric Acid SCHEMBL7953834 0.78 F2 (0.46) F2PROCPRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7951514 0.72 F2 (0.51) F2PROCF10PRSS1PRSS2

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-1050534-B1 2,3-methano-amino acid derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2001-12-05 EP disclosed
EP-1050534-A1 2,3-methano-amino acid derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2000-11-08 EP disclosed