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SCHEMBL16480283

SCHEMBL16480283

CC(=O)N[C@H](C(=O)N[C@H]1CCCCNC(=O)C[C@@H](C(=O)N[C@H]2CCCCNC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC2=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC1=O)C(C)O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 6/20 0.45
▸ SIRT1 Q96EB6 6/20 0.45
▸ SIRT3 Q9NTG7 6/20 0.45
▸ SIRT6 Q8N6T7 6/20 0.43
▸ SIRT5 Q9NXA8 3/20 0.43
▸ NPY1R P25929 1/20 0.43
▸ NPY2R P49146 1/20 0.43
▸ NPY4R P50391 1/20 0.43
▸ NPY5R Q15761 1/20 0.43
▸ TERF2IP Q9NYB0 3/20 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
SCHEMBL16480282 0.86 TERF2IP (0.50) NPY1RNPY2RNPY4RNPY5RTERF2IP
SCHEMBL16480284 0.85 TERF2IP (0.49) NPY1RNPY2RNPY4RNPY5RTERF2IP
SCHEMBL10138943 0.84 SIRT2 (0.42) SIRT2SIRT1SIRT3SIRT6SIRT5
SCHEMBL14028880 0.83 TERF2IP (0.46) NPY1RNPY2RNPY4RNPY5RTERF2IP
SCHEMBL14028885 0.81 TERF2IP (0.45) NPY1RNPY2RNPY4RNPY5RTERF2IP
SCHEMBL14028877 0.80 BECN1 (0.44) NPY1RNPY2RNPY4RNPY5RTERF2IP
SCHEMBL25087397 0.74 SIRT2 (0.45) SIRT2SIRT1SIRT3SIRT6SIRT5
SCHEMBL10138953 0.74 NPY1R (0.41) NPY1RNPY2RNPY4RNPY5RTERF2IP
SCHEMBL10307995 0.70 MC4R (0.64) —
SCHEMBL13063961 0.70 MC4R (0.64) —

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629241-B2 Alpha helical mimics, their uses and methods for their production THE UNIVERSITY OF QUEENSLAND (AU) 2014-01-14 — — US disclosed