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SCHEMBL8126804

SCHEMBL8126804

CN[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)CCC(C)O)C(=O)C1=C(CC(O)Cc2ccc(OCc3ccccn3)cc2)C(OCc2ccccn2)=CC[CH]1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.38
▸ LPAR3 Q9UBY5 1/20 0.33
▸ ENPP2 Q13822 1/20 0.32
▸ PGR P06401 1/20 0.31
▸ ADORA3 P0DMS8 1/20 0.31
▸ PTGS1 P23219 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ PARP10 Q53GL7 1/20 0.31
▸ ACACB O00763 1/20 0.30

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
SCHEMBL7756031 0.79 MAOB (0.43) MAOBLPAR3ENPP2PGRADORA3
SCHEMBL8125526 0.69 ACACB (0.36) ACACB
SCHEMBL8129676 0.67 ACACB (0.38) MAOBACACB
SCHEMBL7475849 0.66 BACE1 (0.37) —
SCHEMBL7966242 0.65 MAOB (0.35) MAOBLPAR3
SCHEMBL8133694 0.65 ACACB (0.39) MAOBACACB
SCHEMBL8140743 0.64 ACACB (0.38) ACACB
SCHEMBL13840605 0.64 MAOB (0.58) MAOBLPAR3ENPP2PGRADORA3
SCHEMBL10285316 0.64 MAOB (0.58) MAOBLPAR3ENPP2PGRADORA3
SCHEMBL464460 0.63 MAOB (0.57) MAOBLPAR3ENPP2PGRADORA3

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-0973756-A1 THIODEPSIPEPTIDES FOR COMBATING ENDOPARASITES AND A METHOD FOR PRODUCING THE SAME BAYER AG (DE) 2000-01-26 — — EP disclosed
WO-1998043965-A1 THIODEPSIPEPTIDES FOR COMBATING ENDOPARASITES AND A METHOD FOR PRODUCING THE SAME BAYER AKTIENGESELLSCHAFT (DE) 1998-10-08 — — WO disclosed