SCHEMBL2598985

SCHEMBL2598985

O=C1NCC2CNCC2c2ccc(OCc3c(F)cccc3F)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK2 P25098 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAOB P27338 5/20 0.34
KCNH2 Q12809 3/20 0.34
MAOA P21397 3/20 0.33
HTR2A P28223 3/20 0.33
HTR1A P08908 2/20 0.33
DRD2 P14416 2/20 0.33
AR P10275 1/20 0.33
PARP15 Q460N3 1/20 0.33
PARP10 Q53GL7 1/20 0.33
SLC6A4 P31645 1/20 0.33
HPGD P15428 1/20 0.33
ANO1 Q5XXA6 3/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
POLB P06746 1/20 0.32
HTR2C P28335 1/20 0.32

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
SCHEMBL861098 1.00 GRK2 (0.35) GRK2MEN1KMT2AMAOBKCNH2
SCHEMBL2598987 1.00 GRK2 (0.35) GRK2MEN1KMT2AMAOBKCNH2
SCHEMBL861099 1.00 GRK2 (0.35) GRK2MEN1KMT2AMAOBKCNH2
SCHEMBL860327 0.89 MAOB (0.47) MAOBKCNH2ARPARP15PARP10
SCHEMBL860328 0.89 MAOB (0.47) MAOBKCNH2ARPARP15PARP10
SCHEMBL2598908 0.89 MAOB (0.47) MAOBKCNH2ARPARP15PARP10
SCHEMBL2598165 0.89 MAOB (0.47) MAOBKCNH2ARPARP15PARP10
SCHEMBL2598012 0.86 MAOB (0.47) MAOBMAOASLC6A4GRM5
SCHEMBL861069 0.86 MAOB (0.47) MAOBMAOASLC6A4GRM5
SCHEMBL861068 0.86 MAOB (0.47) MAOBMAOASLC6A4GRM5

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-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