SCHEMBL5233174

SCHEMBL5233174

CN(C)Cc1c(OC(=O)O)sc2c(C3CCCCC3)c(-c3ccccc3)[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
PDE10A Q9Y233 1/20 0.34
SLC6A9 P48067 2/20 0.32
MAT2A P31153 2/20 0.32
KDM4E B2RXH2 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
SLC6A3 Q01959 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL2990104 0.86 CYP1A2 (0.35) CYP1A2CYP2D6CYP2C9HPGDCYP2C19
SCHEMBL13211561 0.77 FNTA (0.34) KDM4EFNTAFNTBDRD2HTR2A
SCHEMBL5230100 0.74 HTR2A (0.39) MAT2ASLC6A3DRD2HTR2AHTR2C
SCHEMBL13475953 0.73 MAPT (0.43) CYP2C9HPGDCYP2C19KDM4ENPSR1
SCHEMBL5231827 0.73 HTR2A (0.40) MAT2ASLC6A3DRD2HTR2AHTR2C
SCHEMBL13211556 0.71 RAB9A (0.37) HPGDDRD2HTR2AHTR2CKCNH2
SCHEMBL5229977 0.70 CNR1 (0.36) CYP2C19SLC6A9
SCHEMBL5231212 0.70 HTR2A (0.39) MAT2ADRD2HTR2AHTR2CKCNH2
SCHEMBL13211559 0.69 TACR2 (0.39) HPGDKDM4EDRD2HTR2AHTR2C
SCHEMBL13211558 0.68 MAT2A (0.33) MAT2A

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-1664059-B1 THIENOPYRROLES AS ANTIVIRAL AGENTS ANGELETTI P IST RICHERCHE BIO (IT) 2007-09-12 EP claimed