SCHEMBL29743029

SCHEMBL29743029

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

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 11/20 0.41
▸ NPY1R P25929 6/20 0.41
▸ NPY2R P49146 4/20 0.41
▸ NPY5R Q15761 4/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ IL23R Q5VWK5 2/20 0.39
▸ KEAP1 Q14145 1/20 0.38
▸ FURIN P09958 3/20 0.38

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
SCHEMBL29913312 0.89 PTGS1 (0.46) NPY4RNPY1RNPY2RNPY5RIL23R
SCHEMBL30297059 0.89 IL23R (0.42) NPY4RNPY1RNPY2RNPY5RIL23R
SCHEMBL29743011 0.88 OPRD1 (0.40) OPRD1FURIN
SCHEMBL31410824 0.85 KEAP1 (0.44) NPY4RNPY1RNPY2RNPY5ROPRD1
SCHEMBL30679680 0.85 GNPAT (0.43) NPY4RNPY1RNPY2RNPY5R
SCHEMBL30636694 0.84 NPY4R (0.49) NPY4RNPY1RNPY2RNPY5ROPRD1
SCHEMBL29637250 0.82 KEAP1 (0.45) NPY4RNPY1RNPY2RNPY5RKEAP1
SCHEMBL31670469 0.82 NPY4R (0.54) NPY4RNPY1RNPY2RNPY5RKEAP1
SCHEMBL31277157 0.82 NPY4R (0.47) NPY4RNPY1RNPY2RNPY5RFURIN
SCHEMBL30905096 0.82 BACE1 (0.45) NPY4RNPY1RNPY2RNPY5R

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
EP-3242882-B1 CGRP ANTAGONIST PEPTIDES FERRING BV (NL) 2022-05-04 — — EP disclosed
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