SCHEMBL11660637

SCHEMBL11660637

NCCCC[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 2/20 0.49
▸ NPY1R P25929 1/20 0.48
▸ NPY2R P49146 1/20 0.48
▸ NPY4R P50391 1/20 0.48
▸ UTS2R Q9UKP6 1/20 0.48
▸ GNPAT O15228 1/20 0.47
▸ MMP2 P08253 1/20 0.47
▸ OPRK1 P41145 1/20 0.46

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
SCHEMBL11660631 1.00 BACE1 (0.49) BACE1NPY1RNPY2RNPY4RUTS2R
SCHEMBL29367998 0.99 BACE1 (0.49) BACE1NPY1RNPY2RNPY4RUTS2R
SCHEMBL24270257 0.91 MMP2 (0.52) BACE1NPY1RNPY2RNPY4RUTS2R
SCHEMBL30688844 0.91 MMP2 (0.55) BACE1NPY1RNPY2RNPY4RGNPAT
SCHEMBL31602281 0.91 GNPAT (0.57) GNPATMMP2OPRK1
SCHEMBL29389091 0.90 MMP2 (0.51) BACE1NPY1RNPY2RNPY4RUTS2R
SCHEMBL31602283 0.87 CTSL (0.55) MMP2OPRK1
SCHEMBL30799638 0.87 MMP2 (0.56) BACE1NPY1RNPY2RNPY4RGNPAT
SCHEMBL29679650 0.87 ERAP2 (0.55) BACE1GNPATMMP2OPRK1
SCHEMBL30889681 0.87 MME (0.56) MMP2

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-4081530-A Extended chain derivatives of somatostatin AYERST, MCKENNA & HARRISON LIMITED (CA) 1978-03-28 — — US disclosed
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