SCHEMBL11117723

SCHEMBL11117723

O=[C]CNC1C=CCc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.36
MAOB P27338 5/20 0.36
MAOA P21397 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
BCHE P06276 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
ACHE P22303 1/20 0.35
ADRA1A P35348 1/20 0.35
HTR6 P50406 1/20 0.35
MAPT P10636 1/20 0.34
HTR2A P28223 2/20 0.33
HRH1 P35367 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
MTNR1A P48039 2/20 0.32
MTNR1B P49286 2/20 0.32
HDAC4 P56524 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC5 Q9UQL6 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
SCHEMBL7756707 0.79 HDAC4 (0.34) ATMMAOBMAOAMEN1KMT2A
SCHEMBL7294434 0.72 ATM (0.33) ATMMEN1KMT2AHTR2AHRH1
SCHEMBL7439980 0.70 HTR2C (0.50) MAOBMAOABCHEADRA2BADRA2C
SCHEMBL6034027 0.68 MAPT (0.43) MEN1KMT2AMAPTHDAC4HDAC7
SCHEMBL4515519 0.68 IDO1 (0.33) MAPTHDAC4HDAC7HDAC5ALDH1A1
SCHEMBL4515525 0.68 ALDH1A1 (0.33) MEN1KMT2AMAPTHTR2AHRH1
SCHEMBL2580148 0.67 MAOA (0.53) MAOBMAOAMAPTMTNR1AMTNR1B
SCHEMBL31276808 0.66 HTR2A (0.35) MAOBMAOAMAPTHTR2AHRH1
SCHEMBL2525691 0.66 HTR2A (0.35) ATMMAOBMAOAMAPTHTR2A
SCHEMBL4440305 0.66 HTR2A (0.35) MAOBMAOAMAPTHTR2AHRH1

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
EP-0122155-A2 Improvements in or relating to naphthylglycyl cephalosporin derivatives ELI LILLY AND COMPANY (US) 1984-10-17 EP disclosed