SCHEMBL9752019

SCHEMBL9752019

NCCCC[C@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
MAPT P10636 2/20 0.58
GAA P10253 1/20 0.58
KDM4E B2RXH2 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
HCRTR1 O43613 1/20 0.54
MC5R P33032 5/20 0.52
MC3R P41968 4/20 0.52
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
RECQL P46063 1/20 0.51
MC4R P32245 3/20 0.50
NMBR P28336 2/20 0.50
FAAH O00519 1/20 0.50
PPARG P37231 1/20 0.50
MC1R Q01726 1/20 0.49

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
SCHEMBL24588379 0.91 ALDH1A1 (0.58) ALDH1A1MAPTGAAKDM4EL3MBTL1
SCHEMBL3344871 0.89 MC4R (0.55) MC5RMC3RMC4RMC1R
SCHEMBL7271569 0.89 MC4R (0.55) MC5RMC3RMC4RMC1R
SCHEMBL24500027 0.85 GHSR (0.69)
SCHEMBL5500900 0.83 PPARG (0.63) KMT2AMEN1HCRTR1PPARG
SCHEMBL19051488 0.83 PPARG (0.66) KMT2AMEN1HCRTR1PPARG
SCHEMBL28359802 0.83 ALDH1A1 (0.61) ALDH1A1MAPTGAAKDM4EL3MBTL1
SCHEMBL28359800 0.83 ALDH1A1 (0.61) ALDH1A1MAPTGAAKDM4EL3MBTL1
SCHEMBL29511241 0.83 BMP1 (0.53) MAPTKDM4EKMT2AMEN1MC4R
Hydrochloric Acid SCHEMBL6287925 0.83 HDAC1 (0.51) ALDH1A1MAPTGAAKDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0449884-A4 DERIVATIVES OF TETRAPEPTIDES AS CCK AGONISTS 1991-10-30 EP disclosed
EP-0449884-A1 DERIVATIVES OF TETRAPEPTIDES AS CCK AGONISTS ABBOTT LABORATORIES (US) 1991-10-09 EP disclosed