SCHEMBL29649760

SCHEMBL29649760

CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](N)CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 16/20 0.61
▸ NPY1R P25929 10/20 0.61
▸ NPY5R Q15761 8/20 0.61
▸ NPY2R P49146 6/20 0.61
▸ OPRD1 P41143 1/20 0.50
▸ BACE1 P56817 1/20 0.49

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
SCHEMBL29649734 1.00 NPY4R (0.61) NPY4RNPY1RNPY5RNPY2ROPRD1
SCHEMBL29611423 0.97 NPY4R (0.61) NPY4RNPY1RNPY5RNPY2ROPRD1
SCHEMBL29779431 0.95 NPY4R (0.69) NPY4RNPY1RNPY5RNPY2ROPRD1
SCHEMBL30331385 0.93 NPY4R (0.61) NPY4RNPY1RNPY5RNPY2ROPRD1
SCHEMBL29839246 0.93 NPY4R (0.59) NPY4RNPY1RNPY5RNPY2ROPRD1
SCHEMBL29450696 0.93 NPY4R (0.64) NPY4RNPY1RNPY5RNPY2R
SCHEMBL29602482 0.92 NPY4R (0.59) NPY4RNPY1RNPY5RNPY2ROPRD1
SCHEMBL31233596 0.92 NPY4R (0.60) NPY4RNPY1RNPY5RNPY2RBACE1
Thymopentin SCHEMBL7498758 0.91 NPY4R (0.62) NPY4RNPY1RNPY5RNPY2ROPRD1
Thymopentin SCHEMBL989519 0.91 NPY4R (0.62) NPY4RNPY1RNPY5RNPY2ROPRD1

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-11331368-B2 Angiotensin receptor agonists and uses thereof MONASH UNIVERSITY (AU) 2022-05-17 — — US disclosed
Send feedback