SCHEMBL7363492

SCHEMBL7363492

CC(C)C[C@H](NC(=O)CCCCC(C(=O)O)N(C)C)C(=O)N[C@@H](CC(N)=O)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 4/20 0.42
NPY5R Q15761 4/20 0.42
NPY1R P25929 3/20 0.42
NPY2R P49146 1/20 0.42
ECE1 P42892 2/20 0.39
NOD1 Q9Y239 1/20 0.39
KISS1R Q969F8 2/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
NMT2 O60551 1/20 0.38
NMT1 P30419 1/20 0.38
TACR3 P29371 1/20 0.37
FOLH1 Q04609 1/20 0.37
NMUR2 Q9GZQ4 1/20 0.36
NMUR1 Q9HB89 1/20 0.36

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
SCHEMBL7360675 0.85 NOD1 (0.55) NPY4RNPY5RNPY1RNPY2RECE1
SCHEMBL7363053 0.85 ECE1 (0.47) NPY4RNPY5RNPY1RNPY2RECE1
SCHEMBL10592847 0.80 NMT1 (0.50) NPY4RNPY5RNPY1RNPY2RECE1
SCHEMBL7359195 0.79 ECE1 (0.44) NPY4RNPY5RNPY1RNPY2RECE1
SCHEMBL7366677 0.79 NPY4R (0.43) NPY4RNPY5RNPY1RNPY2RECE1
SCHEMBL7359768 0.77 ECE1 (0.49) NPY4RNPY5RNPY1RNPY2RECE1
SCHEMBL29640393 0.77 PLA2G2A (0.53) ECE1NOD1PLA2G10
SCHEMBL29640394 0.77 PLA2G2A (0.53) ECE1NOD1PLA2G10
SCHEMBL30496935 0.77 PLA2G2A (0.53) ECE1NOD1PLA2G10
SCHEMBL30496966 0.77 PLA2G2A (0.53) ECE1NOD1PLA2G10

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-0415981-A4 RETROVIRAL PROTEASE INHIBITORS 1991-10-09 EP disclosed
EP-0415981-A1 RETROVIRAL PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 1991-03-13 EP disclosed
EP-0342541-A2 Retroviral protease inhibitors ABBOTT LABORATORIES (US) 1989-11-23 EP disclosed
WO-1989010752-A1 RETROVIRAL PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 1989-11-16 WO disclosed