SCHEMBL7363053

SCHEMBL7363053

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 3/20 0.47
NPY4R P50391 4/20 0.45
NPY5R Q15761 4/20 0.45
NPY1R P25929 3/20 0.45
NPY2R P49146 1/20 0.45
PLA2G10 O15496 2/20 0.45
PTPN1 P18031 1/20 0.42
KISS1R Q969F8 3/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
NOD1 Q9Y239 1/20 0.41
MMP8 P22894 1/20 0.40
CTSD P07339 1/20 0.39
BACE1 P56817 1/20 0.39
REN P00797 1/20 0.39

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
SCHEMBL10592847 0.90 NMT1 (0.50) ECE1NPY4RNPY5RNPY1RNPY2R
SCHEMBL7359195 0.88 ECE1 (0.44) ECE1NPY4RNPY5RNPY1RNPY2R
SCHEMBL7360675 0.88 NOD1 (0.55) ECE1NPY4RNPY5RNPY1RNPY2R
SCHEMBL7359768 0.86 ECE1 (0.49) ECE1NPY4RNPY5RNPY1RNPY2R
SCHEMBL7363492 0.85 NPY4R (0.42) ECE1NPY4RNPY5RNPY1RNPY2R
SCHEMBL26421505 0.84 PLA2G10 (0.49) NPY4RNPY5RNPY1RNPY2RPLA2G10
SCHEMBL26429485 0.84 PLA2G10 (0.49) NPY4RNPY5RNPY1RNPY2RPLA2G10
SCHEMBL7366677 0.83 NPY4R (0.43) ECE1NPY4RNPY5RNPY1RNPY2R
SCHEMBL30496935 0.83 PLA2G2A (0.53) ECE1PLA2G10NOD1
SCHEMBL29640394 0.83 PLA2G2A (0.53) ECE1PLA2G10NOD1

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