Sugi Predict

Sugi Predict / Compounds / SCHEMBL29636525

SCHEMBL29636525

SCHEMBL29636525

N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 17/20 0.53
▸ GHSR Q92847 1/20 0.51
▸ IL23R Q5VWK5 1/20 0.51
▸ NPY1R P25929 1/20 0.50
▸ NPY2R P49146 1/20 0.50
▸ NPY4R P50391 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
SCHEMBL29476642 0.98 KISS1R (0.53) KISS1RGHSRIL23R
SCHEMBL30919237 0.95 KISS1R (0.54) KISS1RGHSR
SCHEMBL29637604 0.94 KISS1R (0.54) KISS1R
SCHEMBL29672123 0.94 KISS1R (0.55) KISS1RGHSRIL23R
SCHEMBL31406265 0.94 ERAP2 (0.54) KISS1RGHSRNPY1RNPY2RNPY4R
SCHEMBL30641912 0.93 NPY1R (0.50) KISS1RGHSRNPY1RNPY2RNPY4R
SCHEMBL30641908 0.93 NPY1R (0.50) KISS1RGHSRNPY1RNPY2RNPY4R
SCHEMBL30641907 0.93 NPY1R (0.50) KISS1RGHSRNPY1RNPY2RNPY4R
SCHEMBL30958346 0.93 GHSR (0.49) KISS1RGHSRNPY1RNPY2RNPY4R
SCHEMBL31607064 0.93 ERAP2 (0.52) KISS1RIL23RNPY1RNPY2RNPY4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12485078-B2 Personal dental care product for caries treatment CREDENTIS AG (CH) 2025-12-02 — — US disclosed
US-20220387269-A1 PESONAL DENTAL CARE PRODUCT FOR PREVENTING DEMINERALISATION CREDENTIS AG (CH) 2022-12-08 — — US disclosed
CN-114929190-A Personal tooth care product with demineralization prevention 克里登蒂斯股份公司 2022-08-19 — — CN disclosed
EP-4017466-A1 PERSONAL DENTAL CARE PRODUCT FOR PREVENTING DEMINERALISATION Credentis AG (CH) 2022-06-29 — — EP disclosed
Send feedback