SCHEMBL2824959

SCHEMBL2824959

NCCCC(=O)n1cc(CCN)c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 1/20 0.58
HTR2A P28223 1/20 0.51
HTR6 P50406 13/20 0.47
MAPK1 P28482 1/20 0.43
SCN9A Q15858 1/20 0.42
IL6ST P40189 1/20 0.40

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
SCHEMBL1068278 0.91 OXER1 (0.68) OXER1HTR2AHTR6IL6ST
SCHEMBL1063485 0.88 OXER1 (0.72) OXER1HTR2AHTR6IL6ST
SCHEMBL1066222 0.88 OXER1 (0.72) OXER1HTR2AHTR6IL6ST
SCHEMBL22411434 0.88 OXER1 (0.72) OXER1HTR2AHTR6IL6ST
SCHEMBL24995716 0.87 OXER1 (0.55) OXER1HTR6
SCHEMBL9303457 0.86 OXER1 (0.53) OXER1HTR2AHTR6MAPK1SCN9A
SCHEMBL6426061 0.84 HTR2A (0.53) OXER1HTR2AHTR6SCN9A
SCHEMBL7585800 0.84 HTR2A (0.53) OXER1HTR2AHTR6SCN9A
SCHEMBL6425323 0.84 HTR2A (0.53) OXER1HTR2AHTR6SCN9A
SCHEMBL27721427 0.83 HTR2A (0.58) OXER1HTR2AHTR6SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1020179-B9 PEPTIDE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, METHOD FOR PRODUCING THE SAME, USE OF SAID DERIVATIVES AND PHARMACEUTICAL COMPOSITION OTKRYTOE AKTSIONERNOE OBSCHESTVO OTECHESTVENNYE LEKARSTVA (RU) 2011-02-02 EP disclosed
EP-2229935-A1 Peptide derivatives or pharmaceutically acceptable salts thereof, method for producing the same, use of said derivatives and pharmaceutical composition Nebolsin, Vladimir Evgenievich (RU) 2010-09-22 EP disclosed
EP-1020179-B1 PEPTIDE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, METHOD FOR PRODUCING THE SAME, USE OF SAID DERIVATIVES AND PHARMACEUTICAL COMPOSITION OTKRYTOE AKTSIONERNOE OBSCHEST (RU) 2009-12-09 EP disclosed