SCHEMBL1805573

SCHEMBL1805573

CC(=O)N(C)[C@H]1CN(c2ccc(N3CCN(c4ccccc4)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.53
MAOA P21397 5/20 0.53
LMNA P02545 2/20 0.53
PTGS1 P23219 1/20 0.53
CALML3 P27482 1/20 0.53
SDHA P31040 1/20 0.53
MAPT P10636 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45
GFER P55789 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
F10 P00742 5/20 0.44
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL1802813 1.00 MAOB (0.53) MAOBMAOALMNAPTGS1CALML3
Water SCHEMBL1803287 0.99 MAOB (0.52) MAOBMAOALMNAPTGS1CALML3
SCHEMBL8824975 0.90 MAOB (0.65) MAOBMAOALMNAPTGS1CALML3
SCHEMBL24574046 0.90 MAOB (0.65) MAOBMAOALMNAPTGS1CALML3
SCHEMBL12477510 0.90 MAOB (0.65) MAOBMAOALMNAPTGS1CALML3
SCHEMBL8862909 0.89 MAOB (0.51) MAOBMAOALMNAPTGS1CALML3
SCHEMBL8863005 0.87 F10 (0.54) MAOBMAOALMNAPTGS1CALML3
SCHEMBL8350534 0.87 MAOB (0.66) MAOBMAOALMNAPTGS1CALML3
SCHEMBL8352069 0.86 F10 (0.54) MAOBMAOALMNAPTGS1CALML3
Hydrochloric Acid SCHEMBL8574357 0.86 F10 (0.53) MAOBMAOALMNAPTGS1CALML3

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
WO-2011054292-A1 CERTAIN CRYSTALLINE HYDRATES, PHARMACEUTICAL COMPOSITIONS THEREOF AND METHODS FOR PREPARATION AND USE THEREOF SICHUAN BEILIKE BIOTECHNOLOGY LIMITED LIABILITY COMPANY (CN) 2011-05-12 WO claimed
WO-2011054292-A1 CERTAIN CRYSTALLINE HYDRATES, PHARMACEUTICAL COMPOSITIONS THEREOF AND METHODS FOR PREPARATION AND USE THEREOF SICHUAN BEILIKE BIOTECHNOLOGY LIMITED LIABILITY COMPANY (CN) 2011-05-12 WO disclosed