SCHEMBL6471682

SCHEMBL6471682

CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCCN)C(=O)NCC(N)=S

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 18/20 0.58
NPY1R P25929 11/20 0.58
NPY5R Q15761 9/20 0.58
NPY2R P49146 7/20 0.58
NMT2 O60551 1/20 0.41
NMT1 P30419 1/20 0.41

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
SCHEMBL29967673 0.89 NPY4R (0.61) NPY4RNPY1RNPY5RNPY2R
SCHEMBL29385243 0.88 NPY4R (0.62) NPY4RNPY1RNPY5RNPY2R
SCHEMBL30490413 0.88 NPY4R (0.62) NPY4RNPY1RNPY5RNPY2R
SCHEMBL29666908 0.88 NPY4R (0.62) NPY4RNPY1RNPY5RNPY2R
SCHEMBL30355277 0.88 NPY4R (0.62) NPY4RNPY1RNPY5RNPY2R
SCHEMBL30490411 0.88 NPY4R (0.62) NPY4RNPY1RNPY5RNPY2R
SCHEMBL29872588 0.88 NPY4R (0.62) NPY4RNPY1RNPY5RNPY2R
SCHEMBL24049263 0.88 NPY4R (0.56) NPY4RNPY1RNPY5RNPY2R
SCHEMBL29967116 0.88 NPY4R (0.56) NPY4RNPY1RNPY5RNPY2RNMT2
SCHEMBL25867984 0.88 NPY4R (0.56) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005040802-A2 CYLIN BINDING PEPTIDES, AND THEIR USE IN DRUG SCREENING ASSAYS CYCLACEL LIMITED (GB) 2005-05-06 WO disclosed
EP-1250353-A2 P21 DERIVED PEPTIDES CAPABLE OF INHIBITING CDK/CYCLIN COMPLEXES Cyclacel Limited (GB) 2002-10-23 EP disclosed
WO-2001040142-A2 P21 DERIVED PEPTIDES CAPABLE OF INHIBITING CDK/CYCLIN COMPLEXES CYCLACEL LIMITED (GB) 2001-06-07 WO disclosed