SCHEMBL30490604

SCHEMBL30490604

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 2/20 0.39
▸ ACE P12821 3/20 0.39
▸ OPRK1 P41145 7/20 0.37
▸ OPRM1 P35372 6/20 0.37
▸ NTSR2 O95665 2/20 0.37
▸ NTSR1 P30989 2/20 0.37
▸ KDM1A O60341 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ KDM5A P29375 1/20 0.37
▸ KDM1B Q8NB78 1/20 0.37
▸ C5AR1 P21730 1/20 0.37

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
SCHEMBL30173901 0.89 ACE (0.44) EPHA2ACEOPRK1OPRM1KDM1A
SCHEMBL30490593 0.87 OPRK1 (0.45) EPHA2ACEOPRK1OPRM1NTSR2
SCHEMBL9551335 0.86 EPHA2 (0.46) EPHA2ACEOPRK1OPRM1KDM1A
SCHEMBL30552516 0.84 ACE (0.49) ACEOPRK1OPRM1NTSR2NTSR1
SCHEMBL30173928 0.84 EPHA2 (0.45) EPHA2OPRK1OPRM1NTSR2NTSR1
SCHEMBL29802056 0.83 OPRK1 (0.46) ACEOPRK1OPRM1
SCHEMBL29802045 0.83 OPRK1 (0.49) ACEOPRK1OPRM1NTSR2NTSR1
SCHEMBL30422984 0.83 ACE (0.47) ACEOPRK1OPRM1NTSR2NTSR1
SCHEMBL30443975 0.82 ACE (0.45) EPHA2ACEKDM1AMAOBKDM5A
SCHEMBL30490581 0.81 ACE (0.41) ACE

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-4214221-A1 ANTIMICROBIAL PEPTIDOMIMETICS Spexis AG (CH) 2023-07-26 — — EP claimed
EP-4214221-A1 ANTIMICROBIAL PEPTIDOMIMETICS Spexis AG (CH) 2023-07-26 — — EP disclosed
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