SCHEMBL18745985

SCHEMBL18745985

CCCNC(=O)c1ccc(-n2ncc3cc(NC(=O)c4ccc5c(ccn5CCO)c4)ccc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.45
MAPK10 P53779 9/20 0.44
MAPK8 P45983 7/20 0.44
SMO Q99835 4/20 0.43
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
MAOA P21397 3/20 0.43
ACHE P22303 1/20 0.43
HDAC11 Q96DB2 1/20 0.39

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
SCHEMBL18745977 0.94 MAOB (0.44) MAOBMAPK10MAPK8SMOMAPK13
SCHEMBL1665724 0.90 MAOB (0.47) MAOBMAPK10MAPK8SMOMAPK13
SCHEMBL1664953 0.90 MAOB (0.52) MAOBMAPK10MAPK8SMOMAPK13
SCHEMBL1664674 0.88 MAOB (0.52) MAOBMAPK10MAPK8SMOMAPK13
SCHEMBL8773401 0.87 MAOB (0.43) MAOBMAPK10MAPK8SMOMAOA
SCHEMBL1665611 0.86 MAPT (0.47) MAOBMAPK10MAPK8SMOMAOA
SCHEMBL1664039 0.86 HPGDS (0.46) MAOBMAPK10MAPK8MAPK13MAPK12
SCHEMBL1664592 0.85 MAOB (0.43) MAOBMAPK10MAPK8SMOMAPK13
SCHEMBL1665764 0.83 MAOB (0.41) MAOBMAPK10MAPK8SMOMAPK13
SCHEMBL13964702 0.83 MAOB (0.45) MAOBMAPK10MAPK8SMOMAPK13

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-9622991-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2017-04-18 US disclosed