SCHEMBL30870095

SCHEMBL30870095

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)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)N[C@@H](CCN)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.59
▸ MAPK9 P45984 1/20 0.59
▸ MAPK10 P53779 1/20 0.59
▸ NTSR1 P30989 12/20 0.55
▸ NTSR2 O95665 11/20 0.55
▸ SORT1 Q99523 10/20 0.54
▸ NPY1R P25929 4/20 0.53
▸ NPY2R P49146 1/20 0.53
▸ NPY4R P50391 1/20 0.53
▸ NPY5R Q15761 1/20 0.53
▸ NMUR2 Q9GZQ4 1/20 0.50
▸ NMUR1 Q9HB89 1/20 0.50

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
SCHEMBL30870039 0.95 MAPK8 (0.59) MAPK8MAPK9MAPK10NTSR1NTSR2
SCHEMBL30870075 0.95 MAPK8 (0.59) MAPK8MAPK9MAPK10NTSR1NTSR2
SCHEMBL30870045 0.95 MAPK8 (0.59) MAPK8MAPK9MAPK10NTSR1NTSR2
SCHEMBL30870059 0.94 MAPK8 (0.62) MAPK8MAPK9MAPK10NTSR1NTSR2
SCHEMBL30870011 0.92 MAPK8 (0.58) MAPK8MAPK9MAPK10NTSR1NTSR2
SCHEMBL30581312 0.92 MAPK8 (0.58) MAPK8MAPK9MAPK10NTSR1NTSR2
SCHEMBL30581282 0.91 MAPK8 (0.57) MAPK8MAPK9MAPK10NTSR1NTSR2
SCHEMBL30183954 0.91 MAPK8 (0.57) MAPK8MAPK9MAPK10NTSR1NTSR2
SCHEMBL30870068 0.91 MAPK8 (0.57) MAPK8MAPK9MAPK10NTSR1NTSR2
SCHEMBL30870073 0.91 MAPK8 (0.57) MAPK8MAPK9MAPK10NTSR1NTSR2

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
US-20240228555-A9 ANTIMICROBIAL PEPTIDOMIMETICS BASILEA PHARMACEUTICA INTERNATIONAL AG, ALLSCHWIL (CH) 2024-07-11 — — US disclosed
US-20240132553-A1 ANTIMICROBIAL PEPTIDOMIMETICS SPEXIS AG (CH) 2024-04-25 — — US disclosed
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