SCHEMBL5669104

SCHEMBL5669104

CCCCC(O[C]=O)c1cccc2c1Cc1ccccc1-2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HTR7 P34969 1/20 0.32
HTR2B P41595 1/20 0.32
SIGMAR1 Q99720 2/20 0.31
TRPA1 O75762 2/20 0.31
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
EGFR P00533 1/20 0.30
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30

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
SCHEMBL6129732 0.84 PNMT (0.37) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL2316415 0.80 RAB9A (0.42) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL6676496 0.80 PNMT (0.44) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL4556624 0.79 PNMT (0.43) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL28565431 0.79 PNMT (0.43) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL5343063 0.78 PNMT (0.45) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL1610539 0.78 PNMT (0.42) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL8676244 0.76 PNMT (0.41) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL21449058 0.76 NPC1 (0.43) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL6674618 0.76 PNMT (0.43) PNMTNPC1RAB9AHTR7HTR2B

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1667704-A1 MULTIPLE-ARM PEPTIDE COMPOUNDS, METHODS OF MANUFACTURE AND USE IN THERAPY Imran, Mir A. (US) 2006-06-14 EP disclosed
WO-2005027957-A1 MULTIPLE-ARM PEPTIDE COMPOUNDS, METHODS OF MANUFACTURE AND USE IN THERAPY IMRAN MIR A (US) 2005-03-31 WO disclosed
EP-1210360-A4 COMPOUNDS USEFUL TO MIMIC PEPTIDE BETA-STRANDS UNIV CALIFORNIA (US) 2005-03-02 EP disclosed
EP-1210360-A1 COMPOUNDS USEFUL TO MIMIC PEPTIDE BETA-STRANDS The Regents of the University of California (US) 2002-06-05 EP disclosed
WO-2001014412-A1 COMPOUNDS USEFUL TO MIMIC PEPTIDE BETA-STRANDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2001-03-01 WO disclosed