SCHEMBL31384591

SCHEMBL31384591

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.56
APLNR P35414 2/20 0.54
OPRK1 P41145 9/20 0.53
OPRM1 P35372 6/20 0.53
NPY4R P50391 4/20 0.52
NPY1R P25929 3/20 0.52
NPY2R P49146 2/20 0.52
NPY5R Q15761 2/20 0.52
C5AR1 P21730 1/20 0.51

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
SCHEMBL31384590 0.99 MC4R (0.54) MC4RAPLNROPRK1OPRM1NPY4R
SCHEMBL31384597 0.98 MC4R (0.54) MC4RAPLNROPRK1OPRM1NPY4R
SCHEMBL31384594 0.98 MC4R (0.54) MC4RAPLNROPRK1OPRM1NPY4R
SCHEMBL29442117 0.94 MC4R (0.59) MC4RAPLNROPRK1OPRM1NPY4R
SCHEMBL31384592 0.92 NPY4R (0.60) OPRK1OPRM1NPY4RNPY1RNPY2R
SCHEMBL31384595 0.92 NPY4R (0.60) OPRK1OPRM1NPY4RNPY1RNPY2R
SCHEMBL30518966 0.92 APLNR (0.58) MC4RAPLNROPRK1OPRM1
SCHEMBL29607159 0.91 MC4R (0.51) MC4RAPLNROPRK1OPRM1NPY4R
SCHEMBL30272472 0.90 APLNR (0.57) MC4RAPLNROPRK1OPRM1C5AR1
SCHEMBL30753629 0.89 APLNR (0.62) APLNROPRK1OPRM1C5AR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119504931-A Transdermal heptapeptide and application thereof 齐鲁工业大学(山东省科学院) 2025-02-25 CN claimed
CN-119504931-A Transdermal heptapeptide and application thereof 齐鲁工业大学(山东省科学院) 2025-02-25 CN disclosed
CN-119504931-A Transdermal heptapeptide and application thereof 齐鲁工业大学(山东省科学院) 2025-02-25 CN disclosed