SCHEMBL6584050

SCHEMBL6584050

CC1(C)C(=O)Nc2cc(OCCCCCCl)ccc21

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 15/20 0.46
MAOA P21397 12/20 0.42
PDK2 Q15119 1/20 0.41
PDK4 Q16654 1/20 0.41
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
PGR P06401 1/20 0.37

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
SCHEMBL6585088 0.99 MAOB (0.47) MAOBMAOAPDK2PDK4LMNA
SCHEMBL6583879 0.94 MAOB (0.48) MAOBMAOAPDK2PDK4PGR
SCHEMBL6584776 0.92 MAOB (0.48) MAOBMAOAPDK2PDK4PGR
SCHEMBL6584678 0.89 MAOB (0.58) MAOBMAOAPDK2PDK4MMP2
SCHEMBL6584839 0.87 MAOB (0.60) MAOBMAOAPDK2PDK4PGR
SCHEMBL6583303 0.83 MAOB (0.61) MAOBPDK2PDK4PGR
SCHEMBL10829230 0.81 MAOB (0.48) MAOBPDK2PDK4LMNAMAPT
SCHEMBL6583223 0.80 MAOB (0.61) MAOBPDK2PDK4PGR
SCHEMBL10834397 0.77 MAOB (0.54) MAOBMAOAPDK2PDK4PGR
SCHEMBL6000884 0.76 MAOB (0.50) MAOBMAOA

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-0957100-B1 DIAMINE DERIVATIVES AND PHARMACEUTICAL CONTAINING THE SAME KOWA CO (JP) 2004-10-27 EP disclosed
EP-0957100-A1 DIAMINE DERIVATIVES AND PHARMACEUTICAL CONTAINING THE SAME Kowa Co., Ltd. (JP) 1999-11-17 EP disclosed