Sugi Predict

Sugi Predict / Compounds / SCHEMBL29790169

SCHEMBL29790169

SCHEMBL29790169

N=C(N)NCCC[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 4/20 0.56
▸ PRKACB P22694 1/20 0.53
▸ NPY1R P25929 2/20 0.52
▸ NPY2R P49146 2/20 0.52
▸ NPY4R P50391 2/20 0.52
▸ UTS2R Q9UKP6 1/20 0.52
▸ NMBR P28336 2/20 0.51
▸ NPBWR1 P48145 1/20 0.50

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
SCHEMBL29609515 1.00 GHSR (0.56) GHSRPRKACBNPY1RNPY2RNPY4R
SCHEMBL31593359 1.00 GHSR (0.56) GHSRPRKACBNPY1RNPY2RNPY4R
SCHEMBL29609768 1.00 GHSR (0.56) GHSRPRKACBNPY1RNPY2RNPY4R
SCHEMBL29790108 1.00 GHSR (0.56) GHSRPRKACBNPY1RNPY2RNPY4R
SCHEMBL29484173 1.00 GHSR (0.56) GHSRPRKACBNPY1RNPY2RNPY4R
SCHEMBL29511112 0.99 GHSR (0.56) GHSRPRKACBNPY1RNPY2RNPY4R
SCHEMBL30990571 0.99 GHSR (0.56) GHSRPRKACBNPY1RNPY2RNPY4R
SCHEMBL29641046 0.99 GHSR (0.56) GHSRPRKACBNPY1RNPY2RNPY4R
SCHEMBL29699792 0.98 GHSR (0.56) GHSRPRKACBNPY1RNPY2RNPY4R
SCHEMBL29702283 0.98 GHSR (0.56) GHSRPRKACBNPY1RNPY2RNPY4R

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
CN-113214822-B AIE nanofiber probe for targeted staining of cell membrane and preparation method thereof 华南理工大学 2022-07-26 — — CN disclosed
Send feedback