SCHEMBL2824958

SCHEMBL2824958

CC(N)CC(=O)NCCc1c[nH]c2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AANAT Q16613 1/20 0.67
MEN1 O00255 6/20 0.66
KMT2A Q03164 6/20 0.66
TSHR P16473 2/20 0.66
LMNA P02545 1/20 0.66
CYP1A2 P05177 1/20 0.66
PKM P14618 1/20 0.66
CYP2C19 P33261 1/20 0.66
BLM P54132 1/20 0.66
MTNR1A P48039 2/20 0.65
CTSC P53634 1/20 0.64
MAPT P10636 3/20 0.61
KDM4E B2RXH2 1/20 0.61
ALDH1A1 P00352 1/20 0.61
CYP3A4 P08684 1/20 0.61
ALOX15 P16050 1/20 0.61
MAPK1 P28482 1/20 0.61
HSD17B10 Q99714 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
MMP9 P14780 1/20 0.60

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
SCHEMBL1768952 0.86 AANAT (0.65) AANATMEN1KMT2ATSHRLMNA
SCHEMBL1768953 0.86 AANAT (0.65) AANATMEN1KMT2ATSHRLMNA
SCHEMBL10575207 0.86 MEN1 (0.68) AANATMEN1KMT2ATSHRLMNA
SCHEMBL13560942 0.86 MEN1 (0.66) AANATMEN1KMT2ATSHRLMNA
SCHEMBL15176753 0.85 AANAT (0.64) AANATMEN1KMT2ATSHRLMNA
SCHEMBL15145390 0.83 CTSC (0.71) AANATMEN1KMT2ATSHRLMNA
SCHEMBL761706 0.83 MEN1 (0.75) AANATMEN1KMT2ATSHRLMNA
SCHEMBL6703004 0.83 AANAT (0.75) AANATMEN1KMT2ATSHRLMNA
SCHEMBL761155 0.83 MTNR1A (0.76) AANATMEN1KMT2ATSHRLMNA
SCHEMBL31114206 0.83 MTNR1A (0.76) AANATMEN1KMT2ATSHRLMNA

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