SCHEMBL30775073

SCHEMBL30775073

N=C(N)NCCC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ UTS2R Q9UKP6 1/20 0.54
▸ NPY4R P50391 4/20 0.52
▸ NPY1R P25929 3/20 0.52
▸ NPY2R P49146 3/20 0.52
▸ ECE1 P42892 2/20 0.49
▸ ACE P12821 1/20 0.49
▸ GHSR Q92847 1/20 0.49
▸ KISS1R Q969F8 1/20 0.48
▸ MC4R P32245 2/20 0.48

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
SCHEMBL29476594 0.94 ACE (0.55) ECE1ACE
SCHEMBL31184624 0.94 ACE (0.55) ECE1ACE
SCHEMBL29511163 0.94 ACE (0.55) ECE1ACE
SCHEMBL31193750 0.93 NPY4R (0.58) NPY4RNPY1RNPY2RECE1GHSR
SCHEMBL31193767 0.93 NPY4R (0.60) NPY4RNPY1RNPY2RECE1GHSR
SCHEMBL29794114 0.93 ECE1 (0.56) NPY4RNPY1RNPY2RECE1KISS1R
SCHEMBL29540094 0.93 ECE1 (0.56) NPY4RNPY1RNPY2RECE1KISS1R
SCHEMBL29794196 0.93 ECE1 (0.56) NPY4RNPY1RNPY2RECE1KISS1R
SCHEMBL30166970 0.92 MC4R (0.56) UTS2RGHSRKISS1RMC4R
SCHEMBL22133204 0.90 NPY1R (0.59) NPY4RNPY1RNPY2RGHSRKISS1R

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-113929763-B Method for preparing semenopeptide by using soluble label as carrier 申联生物医药(上海)股份有限公司 2024-01-30 — — CN disclosed
Send feedback