SCHEMBL7644394

SCHEMBL7644394

CCCCOc1nsc(N[C@@H](CC(C)C)C(N)=O)n1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 9/20 0.37
FPR2 P25090 1/20 0.36
SCN9A Q15858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CNR2 P34972 3/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
XIAP P98170 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CNR1 P21554 1/20 0.34
LMNA P02545 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
SCHEMBL7408062 0.85 XIAP (0.37) FPR2SCN9AL3MBTL1XIAPSMN1; SMN2
SCHEMBL7637777 0.82 ELANE (0.42) CNR2CNR1
SCHEMBL7642932 0.81 XIAP (0.34) L3MBTL1XIAPSMN1; SMN2NPC1RAB9A
SCHEMBL7400637 0.80 SMN1; SMN2 (0.33) L3MBTL1XIAPSMN1; SMN2NPC1RAB9A
SCHEMBL7644396 0.79 XIAP (0.43) XIAPSMN1; SMN2LMNA
SCHEMBL7447829 0.77 ACE (0.46) L3MBTL1LMNA
SCHEMBL7408066 0.76 XIAP (0.55) L3MBTL1XIAPSMN1; SMN2NPC1RAB9A
SCHEMBL7406241 0.75 L3MBTL1 (0.36) L3MBTL1XIAPSMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL7403583 0.74 L3MBTL1 (0.36) L3MBTL1XIAPSMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL7403586 0.72 RAB9A (0.41) L3MBTL1XIAPSMN1; SMN2NPC1RAB9A

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
US-6468977-B1 COMPOUNDS USEFUL IN TREATMENT TREATMENT OF DISORDER AND/OR DISEASE CAUSED BY ACTIVITY OF ENZYMES SUCH AS HUMAN RHINOVIRUS 3C PROTEASE, TRANSGLUTAMINASE AND CATHEPSINS APOTEX INC. (CA) 2002-10-22 US disclosed