SCHEMBL30361699

SCHEMBL30361699

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NTSR1 P30989 12/20 0.59
▸ NTSR2 O95665 10/20 0.59
▸ SORT1 Q99523 8/20 0.59
▸ MAPK8 P45983 1/20 0.58
▸ MAPK9 P45984 1/20 0.58
▸ MAPK10 P53779 1/20 0.58
▸ EPHA2 P29317 1/20 0.54
▸ KDM1A O60341 1/20 0.53
▸ MAOB P27338 1/20 0.53
▸ KDM5A P29375 1/20 0.53
▸ KDM1B Q8NB78 1/20 0.53
▸ OPRD1 P41143 2/20 0.53

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
SCHEMBL30581301 0.96 MAPK8 (0.61) NTSR1NTSR2SORT1MAPK8MAPK9
SCHEMBL30581294 0.96 MAPK8 (0.61) NTSR1NTSR2SORT1MAPK8MAPK9
SCHEMBL30581283 0.95 MAPK8 (0.60) NTSR1NTSR2SORT1MAPK8MAPK9
SCHEMBL30581320 0.95 MAPK8 (0.59) NTSR1NTSR2SORT1MAPK8MAPK9
SCHEMBL30581284 0.95 MAPK8 (0.59) NTSR1NTSR2SORT1MAPK8MAPK9
SCHEMBL30581307 0.95 MAPK8 (0.59) NTSR1NTSR2SORT1MAPK8MAPK9
SCHEMBL30581329 0.95 MAPK8 (0.59) NTSR1NTSR2SORT1MAPK8MAPK9
SCHEMBL30581305 0.95 MAPK8 (0.59) NTSR1NTSR2SORT1MAPK8MAPK9
SCHEMBL30581276 0.95 MAPK8 (0.59) NTSR1NTSR2SORT1MAPK8MAPK9
SCHEMBL30581327 0.94 MAPK8 (0.58) NTSR1NTSR2SORT1MAPK8MAPK9

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-20230295234-A1 ANTIMICROBIAL PEPTIDOMIMETICS SPEXIS AG (CH) 2023-09-21 — — US claimed
CN-115989237-A Antimicrobial peptidomimetics 斯派西斯公司 2023-04-18 — — CN claimed
US-20230295234-A1 ANTIMICROBIAL PEPTIDOMIMETICS SPEXIS AG (CH) 2023-09-21 — — US disclosed
CN-115989237-A Antimicrobial peptidomimetics 斯派西斯公司 2023-04-18 — — CN disclosed
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