SCHEMBL30173901

SCHEMBL30173901

CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCCN)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.44
▸ OPRK1 P41145 7/20 0.42
▸ OPRM1 P35372 6/20 0.42
▸ EPHA2 P29317 1/20 0.42
▸ NPY4R P50391 3/20 0.41
▸ NPY1R P25929 2/20 0.41
▸ NPY2R P49146 2/20 0.41
▸ NPY5R Q15761 2/20 0.41
▸ KDM1A O60341 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ KDM5A P29375 1/20 0.41
▸ KDM1B Q8NB78 1/20 0.41
▸ C5AR1 P21730 1/20 0.41

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
SCHEMBL9551335 0.96 EPHA2 (0.46) ACEOPRK1OPRM1EPHA2KDM1A
SCHEMBL30173928 0.94 EPHA2 (0.45) OPRK1OPRM1EPHA2NPY4RNPY1R
SCHEMBL30490593 0.93 OPRK1 (0.45) ACEOPRK1OPRM1EPHA2KDM1A
SCHEMBL30443975 0.92 ACE (0.45) ACEEPHA2NPY4RNPY1RNPY2R
SCHEMBL29802056 0.92 OPRK1 (0.46) ACEOPRK1OPRM1NPY4RNPY1R
SCHEMBL30422984 0.92 ACE (0.47) ACEOPRK1OPRM1NPY4RNPY1R
SCHEMBL30973972 0.91 ACE (0.50) ACEOPRK1
SCHEMBL30490569 0.91 ACE (0.50) ACEOPRK1
SCHEMBL30552516 0.90 ACE (0.49) ACEOPRK1OPRM1
SCHEMBL30490604 0.89 EPHA2 (0.39) ACEOPRK1OPRM1EPHA2KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4362904-A1 COSMETIC, NON-THERAPEUTIC USES OF PEPTIDES Lubrizol Advanced Materials, Inc. (US) 2024-05-08 — — EP disclosed
WO-2023275811-A1 COSMETIC, NON-THERAPEUTIC USES OF PEPTIDES LUBRIZOL ADVANCED MATERIALS, INC. (US) 2023-01-05 — — WO disclosed
Send feedback