SCHEMBL6994847

SCHEMBL6994847

CCNC(=O)COc1ccccc1CNC(=O)[C@@H]1CCc2cnc(NC[C@@H](c3ccc(C)cc3)c3ccc(C)cn3)c(=O)n21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.40
PRSS1 P07477 3/20 0.40
PRSS2 P07478 3/20 0.40
PRSS3 P35030 3/20 0.40
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 3/20 0.34
ALDH1A1 P00352 2/20 0.34
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
P2RX7 Q99572 1/20 0.34
POLB P06746 2/20 0.33
TP53 P04637 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 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
SCHEMBL6994853 1.00 F2 (0.40) F2PRSS1PRSS2PRSS3KMT2A
Hydrochloric Acid SCHEMBL7992387 0.99 F2 (0.39) F2PRSS1PRSS2PRSS3KMT2A
Hydrochloric Acid SCHEMBL7992547 0.99 F2 (0.39) F2PRSS1PRSS2PRSS3KMT2A
SCHEMBL7000162 0.90 KMT2A (0.43) F2PRSS1PRSS2PRSS3KMT2A
Hydrochloric Acid SCHEMBL7989044 0.90 KMT2A (0.42) F2PRSS1PRSS2PRSS3KMT2A
SCHEMBL7301539 0.85 F2 (0.37) F2PRSS1PRSS2PRSS3
SCHEMBL7292153 0.85 F2 (0.37) F2PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7992549 0.85 F2 (0.36) F2PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7992390 0.85 F2 (0.36) F2PRSS1PRSS2PRSS3
SCHEMBL6992396 0.81 F2 (0.48) F2PRSS1PRSS2PRSS3

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-1069132-B1 Bicyclic derivatives of amino-pyrazinones, process of preparation and pharmaceutical compositions comprising them SERVIER LAB (FR) 2003-10-01 EP disclosed
EP-1069132-A1 Bicyclic derivatives of amino-pyrazinones, process of preparation and pharmaceutical compositions comprising them ADIR ET COMPAGNIE (FR) 2001-01-17 EP disclosed