SCHEMBL8490305

SCHEMBL8490305

O=C1Cc2cc(F)c(CCCl)cc2N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 4/20 0.42
CMA1 P23946 2/20 0.42
MAOB P27338 3/20 0.40
EIF2AK2 P19525 1/20 0.38
HTR1A P08908 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
PGR P06401 1/20 0.36
PDK2 Q15119 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
KIF11 P52732 1/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
CRBN Q96SW2 1/20 0.35
SMYD3 Q9H7B4 1/20 0.34
EPHX2 P34913 1/20 0.34
TDP2 O95551 1/20 0.34
HDAC3 O15379 1/20 0.34

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
SCHEMBL4888411 0.94 AHR (0.42) AHRCMA1MAOBEIF2AK2HTR1A
SCHEMBL30204354 0.79 AHR (0.47) AHRCMA1MAOBEIF2AK2HTR1A
SCHEMBL623364 0.79 AHR (0.47) AHRCMA1MAOBEIF2AK2HTR1A
SCHEMBL30844034 0.78 AHR (0.46) AHRCMA1MAOBEIF2AK2HTR1A
SCHEMBL7936452 0.78 AHR (0.42) AHRCMA1MAOBEIF2AK2HTR1A
SCHEMBL29248780 0.78 AHR (0.46) AHRCMA1MAOBEIF2AK2HTR1A
SCHEMBL7899974 0.78 AHR (0.42) AHRCMA1MAOBEIF2AK2PGR
SCHEMBL548762 0.77 AHR (0.50) AHRCMA1MAOBEIF2AK2PGR
SCHEMBL12064436 0.76 AHR (0.42) AHRCMA1MAOBEIF2AK2HTR1A
SCHEMBL222332 0.75 AHR (0.53) AHRCMA1MAOBEIF2AK2PGR

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
WO-1999058525-A1 INDOLE DERIVATIVES AS 5-HT2A LIGANDS AND AS SEROTONINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY LIMITED (GB) 1999-11-18 WO disclosed