SCHEMBL2823768

SCHEMBL2823768

CCCCCCCNC(=O)Cc1ncc[nH]1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
CASP2 P42575 1/20 0.46
MAPT P10636 1/20 0.46
KDM4E B2RXH2 1/20 0.45
NAAA Q02083 2/20 0.44
KMT2A Q03164 1/20 0.43
TBXAS1 P24557 1/20 0.42
HPGD P15428 1/20 0.42
EPHX1 P07099 1/20 0.42

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
SCHEMBL7287774 0.82 TBXAS1 (0.56) TRPV1CASP2MAPTNAAAKMT2A
SCHEMBL26398365 0.82 GAA (0.43) LMNAGAAMAPTKDM4EKMT2A
SCHEMBL8535903 0.81 TDP1 (0.40) LMNAGAAMAPTKMT2ATBXAS1
SCHEMBL7297042 0.77 TBXAS1 (0.51) KMT2ATBXAS1
SCHEMBL8747369 0.77 NAAA (0.54) LMNAKDM4ENAAAHPGDEPHX1
SCHEMBL7742657 0.76 GAA (0.42) LMNAGAAMAPTKDM4EKMT2A
SCHEMBL1075053 0.75 GAA (0.46) GAAMAPTKDM4EKMT2ATBXAS1
SCHEMBL30979824 0.75 SELP (0.56) TBXAS1
SCHEMBL5579468 0.75 NAAA (0.51) LMNAKDM4ENAAAHPGDEPHX1
SCHEMBL8278814 0.74 TBXAS1 (0.48) CASP2TBXAS1HPGD

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 4 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 claimed
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 claimed
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-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