SCHEMBL2598012

SCHEMBL2598012

O=C1NC[C@@H]2CNCC2c2ccc(OCc3cccc(F)c3)cc21

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 14/20 0.47
GRM5 P41594 2/20 0.47
MAOA P21397 4/20 0.47
CYP1A2 P05177 1/20 0.44
SLC6A4 P31645 1/20 0.43
HTR6 P50406 1/20 0.43
HPD P32754 1/20 0.42
NR4A2 P43354 2/20 0.42

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
SCHEMBL2598011 1.00 MAOB (0.47) MAOBGRM5MAOACYP1A2SLC6A4
SCHEMBL861068 1.00 MAOB (0.47) MAOBGRM5MAOACYP1A2SLC6A4
SCHEMBL861069 1.00 MAOB (0.47) MAOBGRM5MAOACYP1A2SLC6A4
SCHEMBL861544 0.90 SLC6A4 (0.45) MAOBGRM5MAOACYP1A2SLC6A4
SCHEMBL861545 0.90 SLC6A4 (0.45) MAOBGRM5MAOACYP1A2SLC6A4
SCHEMBL2599094 0.90 SLC6A4 (0.45) MAOBGRM5MAOACYP1A2SLC6A4
SCHEMBL861098 0.86 GRK2 (0.35) MAOBGRM5MAOASLC6A4
SCHEMBL2598987 0.86 GRK2 (0.35) MAOBGRM5MAOASLC6A4
SCHEMBL2598985 0.86 GRK2 (0.35) MAOBGRM5MAOASLC6A4
SCHEMBL861099 0.86 GRK2 (0.35) MAOBGRM5MAOASLC6A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571353-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF AbbVie Inc. (US) 2013-03-27 EP claimed
WO-2011146089-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-11-24 WO claimed
EP-2571353-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF AbbVie Inc. (US) 2013-03-27 EP disclosed
WO-2011146089-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-11-24 WO disclosed