SCHEMBL7366677

SCHEMBL7366677

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 11/20 0.43
NOD1 Q9Y239 1/20 0.42
NPY1R P25929 8/20 0.42
NPY5R Q15761 8/20 0.42
NPY2R P49146 5/20 0.42
FOLH1 Q04609 1/20 0.42
BIRC2 Q13490 3/20 0.42
ECE1 P42892 1/20 0.40
IL1RN P18510 1/20 0.39
ERAP2 Q6P179 1/20 0.39
NMT2 O60551 1/20 0.38
NMT1 P30419 1/20 0.38

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 0.89 NOD1 (0.55) NPY4RNOD1NPY1RNPY5RNPY2R
SCHEMBL7359195 0.85 ECE1 (0.44) NPY4RNOD1NPY1RNPY5RNPY2R
SCHEMBL7363053 0.83 ECE1 (0.47) NPY4RNOD1NPY1RNPY5RNPY2R
SCHEMBL10592847 0.81 NMT1 (0.50) NPY4RNPY1RNPY5RNPY2RECE1
SCHEMBL7363492 0.79 NPY4R (0.42) NPY4RNOD1NPY1RNPY5RNPY2R
SCHEMBL21724658 0.78 BIRC2 (0.55) NOD1FOLH1BIRC2
SCHEMBL21724656 0.78 BIRC2 (0.55) NOD1FOLH1BIRC2
SCHEMBL7359768 0.78 ECE1 (0.49) NPY4RNOD1NPY1RNPY5RNPY2R
SCHEMBL10591376 0.75 CAPN1 (0.57)
SCHEMBL10592054 0.74 CAPN1 (0.53) NPY4RNPY1RNPY5RNPY2R

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