SCHEMBL7944161

SCHEMBL7944161

O=C1Cc2cc(CCI)c(Cl)cc2N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.46
CMA1 P23946 2/20 0.46
HTR1A P08908 6/20 0.45
DRD2 P14416 6/20 0.45
HTR2A P28223 6/20 0.45
KCNH2 Q12809 2/20 0.45
SLC6A4 P31645 2/20 0.45
PGR P06401 2/20 0.45
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
ABCB11 O95342 1/20 0.45
CHRM2 P08172 1/20 0.45
ADRA2A P08913 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
MAPT P10636 1/20 0.45
CHRM1 P11229 1/20 0.45
GOT1 P17174 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
DRD1 P21728 1/20 0.45

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
SCHEMBL30204354 0.86 AHR (0.47) AHRCMA1HTR1ADRD2HTR2A
SCHEMBL623364 0.86 AHR (0.47) AHRCMA1HTR1ADRD2HTR2A
SCHEMBL931526 0.84 AHR (0.46) AHRCMA1HTR1ADRD2HTR2A
SCHEMBL8230949 0.84 AHR (0.46) AHRCMA1HTR1ADRD2HTR2A
SCHEMBL30204500 0.84 AHR (0.46) AHRCMA1HTR1ADRD2HTR2A
SCHEMBL13799364 0.84 AHR (0.46) AHRCMA1HTR1ADRD2HTR2A
SCHEMBL6184160 0.83 AHR (0.45) AHRCMA1HTR1ADRD2HTR2A
SCHEMBL5791985 0.83 AHR (0.45) AHRCMA1HTR1ADRD2HTR2A
SCHEMBL19751042 0.82 AHR (0.50) AHRCMA1HTR1ADRD2HTR2A
SCHEMBL623837 0.82 HTR1A (0.46) AHRCMA1HTR1ADRD2HTR2A

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-2010010566-A1 IMPROVED PROCESS FOR THE MANUFACTURE OF ZIPRASIDONE LUPIN LIMITED (IN) 2010-01-28 WO disclosed