SCHEMBL7315357

SCHEMBL7315357

N=C(N)Nc1ccc(CNC(=O)[C@]23C[C@H]2CCN3C(=O)[C@@H](CC2CCCCC2)NCc2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 16/20 0.43
PROC P04070 1/20 0.43
KLKB1 P03952 1/20 0.38
F10 P00742 1/20 0.38
PLG P00747 1/20 0.38
PLAT P00750 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
EPHX1 P07099 1/20 0.36
HPGD P15428 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CFD P00746 1/20 0.36

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
SCHEMBL7306786 0.90 F2 (0.38) F2PROCF10PLGPLAT
Hydrochloric Acid SCHEMBL7955408 0.89 F2 (0.38) F2PROCF10PLGPLAT
SCHEMBL7316063 0.87 F2 (0.38) F2PROCEPHX1HPGDCFD
Hydrochloric Acid SCHEMBL7955368 0.86 F2 (0.38) F2PROCEPHX1CFD
SCHEMBL7400135 0.82 F2 (0.61) F2PROCF10PLGPLAT
Hydrochloric Acid SCHEMBL7958396 0.82 F2 (0.60) F2PROCF10PLGPLAT
SCHEMBL7310191 0.76 F2 (0.47) F2PROCF10PRSS1PRSS2
SCHEMBL7304476 0.76 F2 (0.47) F2PROCPRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7953102 0.76 F2 (0.47) F2PROCPRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7953834 0.76 F2 (0.46) F2PROCPRSS1PRSS2PRSS3

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-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