SCHEMBL6473554

SCHEMBL6473554

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)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 17/20 0.68
▸ NPY1R P25929 10/20 0.68
▸ NPY5R Q15761 9/20 0.68
▸ NPY2R P49146 6/20 0.68
▸ OPRK1 P41145 1/20 0.53
▸ KISS1R Q969F8 1/20 0.51

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
SCHEMBL6472563 1.00 NPY4R (0.68) NPY4RNPY1RNPY5RNPY2ROPRK1
SCHEMBL6473543 1.00 NPY4R (0.68) NPY4RNPY1RNPY5RNPY2ROPRK1
SCHEMBL6472571 1.00 NPY4R (0.68) NPY4RNPY1RNPY5RNPY2ROPRK1
SCHEMBL6471470 0.97 NPY4R (0.64) NPY4RNPY1RNPY5RNPY2R
SCHEMBL6471476 0.97 NPY4R (0.64) NPY4RNPY1RNPY5RNPY2R
SCHEMBL6471412 0.97 NPY4R (0.64) NPY4RNPY1RNPY5RNPY2ROPRK1
SCHEMBL6471159 0.97 NPY4R (0.64) NPY4RNPY1RNPY5RNPY2ROPRK1
SCHEMBL6472542 0.97 NPY4R (0.64) NPY4RNPY1RNPY5RNPY2ROPRK1
SCHEMBL6472534 0.97 NPY4R (0.64) NPY4RNPY1RNPY5RNPY2ROPRK1
SCHEMBL6472515 0.97 NPY4R (0.64) NPY4RNPY1RNPY5RNPY2RKISS1R

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
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