SCHEMBL29687469

SCHEMBL29687469

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.48
▸ MAPK9 P45984 1/20 0.48
▸ MAPK10 P53779 1/20 0.48
▸ NPY4R P50391 10/20 0.45
▸ NPY1R P25929 7/20 0.45
▸ NPY5R Q15761 6/20 0.45
▸ NPY2R P49146 3/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ OPRM1 P35372 5/20 0.40
▸ OPRK1 P41145 5/20 0.40
▸ KEAP1 Q14145 1/20 0.39
▸ KDM1A O60341 1/20 0.39

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
SCHEMBL8720811 0.96 MAPK8 (0.44) MAPK8MAPK9MAPK10NPY4RNPY1R
SCHEMBL8720817 0.96 MAPK8 (0.44) MAPK8MAPK9MAPK10NPY4RNPY1R
SCHEMBL31195953 0.94 MAPK8 (0.49) MAPK8MAPK9MAPK10NPY4RNPY1R
SCHEMBL29663559 0.94 MAPK8 (0.46) MAPK8MAPK9MAPK10NPY4RNPY1R
SCHEMBL31480031 0.93 MAPK8 (0.49) MAPK8MAPK9MAPK10NPY4RNPY1R
SCHEMBL30974427 0.93 KDM1A (0.43) MAPK8MAPK9MAPK10NPY4RNPY1R
SCHEMBL29437943 0.93 MAPK8 (0.43) MAPK8MAPK9MAPK10NPY4RNPY1R
SCHEMBL30440026 0.92 MAPK8 (0.46) MAPK8MAPK9MAPK10NPY4RNPY1R
SCHEMBL29496505 0.92 PRCP (0.42) MAPK8MAPK9MAPK10NPY4RNPY1R
SCHEMBL31181269 0.91 NPY4R (0.48) MAPK8MAPK9MAPK10NPY4RNPY1R

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 1 patent. 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 disclosed
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