SCHEMBL29464014

SCHEMBL29464014

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 14/20 0.62
OPRK1 P41145 14/20 0.62
MAPK8 P45983 1/20 0.55
MAPK9 P45984 1/20 0.55
MAPK10 P53779 1/20 0.55
EPHA2 P29317 3/20 0.54
NMUR2 Q9GZQ4 1/20 0.54
NMUR1 Q9HB89 1/20 0.54

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
SCHEMBL30973963 0.93 OPRM1 (0.64) OPRM1OPRK1EPHA2NMUR2NMUR1
SCHEMBL29464015 0.93 MAPK8 (0.59) OPRM1OPRK1MAPK8MAPK9MAPK10
SCHEMBL30799488 0.91 OPRM1 (0.57) OPRM1OPRK1EPHA2NMUR2NMUR1
SCHEMBL30544090 0.91 OPRM1 (0.57) OPRM1OPRK1MAPK8MAPK9MAPK10
SCHEMBL30498507 0.91 EPHA2 (0.60) OPRM1OPRK1MAPK8MAPK9MAPK10
SCHEMBL30509906 0.91 OPRM1 (0.52) OPRM1OPRK1MAPK8MAPK9MAPK10
SCHEMBL29520254 0.90 KISS1R (0.62) OPRM1OPRK1
SCHEMBL30943512 0.90 NTSR2 (0.56) OPRM1NMUR2NMUR1
SCHEMBL30458665 0.90 OPRM1 (0.58) OPRM1OPRK1NMUR2NMUR1
SCHEMBL29868580 0.90 OPRM1 (0.59) OPRM1OPRK1MAPK8MAPK9MAPK10

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
EP-3541402-B1 C3A RECEPTOR AGONISTS FOR USE AGAINST ISCHEMIC BRAIN INJURY PEKNA MARCELA (SE) 2022-07-20 EP claimed
US-11266715-B2 C3A receptor agonists for use against ischemic brain injury, stroke, traumatic brain injury, spinal cord injury and neurodegenerative disorders PEKNA MARCELA (SE) 2022-03-08 US claimed
EP-3541402-B1 C3A RECEPTOR AGONISTS FOR USE AGAINST ISCHEMIC BRAIN INJURY PEKNA MARCELA (SE) 2022-07-20 EP disclosed
US-11266715-B2 C3A receptor agonists for use against ischemic brain injury, stroke, traumatic brain injury, spinal cord injury and neurodegenerative disorders PEKNA MARCELA (SE) 2022-03-08 US disclosed