SCHEMBL7339121

SCHEMBL7339121

CC(C)(C)OC(=O)C(N)Cc1ccc(OCc2ccccn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.54
PARP10 Q53GL7 1/20 0.52
LTA4H P09960 3/20 0.49
PGR P06401 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
PTGS1 P23219 1/20 0.48
SLC6A2 P23975 1/20 0.48
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 2/20 0.47
MAPK1 P28482 2/20 0.47
RAB9A P51151 2/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
KDM4E B2RXH2 1/20 0.45
ACACB O00763 1/20 0.45

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
SCHEMBL7339113 1.00 MAOB (0.54) MAOBPARP10LTA4HPGRADORA3
SCHEMBL7338844 0.84 LTA4H (0.65) MAOBLTA4HPTGS1LAP3
SCHEMBL7339057 0.84 LTA4H (0.65) MAOBLTA4HPTGS1LAP3
SCHEMBL7338836 0.84 LTA4H (0.65) MAOBLTA4HPTGS1LAP3
SCHEMBL561827 0.83 MAOB (0.61) MAOBPARP10LTA4HPGRADORA3
SCHEMBL561829 0.83 MAOB (0.61) MAOBPARP10LTA4HPGRADORA3
SCHEMBL7342898 0.82 MAOB (0.52) MAOBPARP10LTA4HALDH1A1RAB9A
SCHEMBL7342884 0.82 MAOB (0.52) MAOBPARP10LTA4HALDH1A1RAB9A
SCHEMBL7337394 0.81 ACACB (0.56) LTA4HALDH1A1SMN1; SMN2NPC1MAPK1
SCHEMBL7337381 0.81 ACACB (0.56) LTA4HALDH1A1SMN1; SMN2NPC1MAPK1

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-6423689-B1 Peptidyl calcium channel blockers WARNER-LAMBERT COMPANY 2002-07-23 US disclosed