SCHEMBL31480031

SCHEMBL31480031

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.49
▸ MAPK9 P45984 1/20 0.49
▸ MAPK10 P53779 1/20 0.49
▸ NPY4R P50391 10/20 0.45
▸ NPY1R P25929 7/20 0.45
▸ NPY5R Q15761 6/20 0.45
▸ KEAP1 Q14145 1/20 0.43
▸ KDM1A O60341 3/20 0.42
▸ NPY2R P49146 3/20 0.41
▸ MAOB P27338 1/20 0.39
▸ KDM5A P29375 1/20 0.39
▸ KDM1B Q8NB78 1/20 0.39
▸ NMUR2 Q9GZQ4 1/20 0.38
▸ NMUR1 Q9HB89 1/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ RAMP3 O60896 1/20 0.38
▸ CALCR P30988 1/20 0.38

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
SCHEMBL29687469 0.93 MAPK8 (0.48) MAPK8MAPK9MAPK10NPY4RNPY1R
SCHEMBL29663559 0.93 MAPK8 (0.46) MAPK8MAPK9MAPK10NPY4RNPY1R
SCHEMBL30844347 0.90 KDM1A (0.43) MAPK8MAPK9MAPK10KEAP1KDM1A
SCHEMBL8720817 0.90 MAPK8 (0.44) MAPK8MAPK9MAPK10NPY4RNPY1R
SCHEMBL8720811 0.90 MAPK8 (0.44) MAPK8MAPK9MAPK10NPY4RNPY1R
SCHEMBL30522782 0.89 MEN1 (0.41) MAPK8MAPK9MAPK10NPY4RNPY1R
SCHEMBL29496505 0.89 PRCP (0.42) MAPK8MAPK9MAPK10NPY4RNPY1R
SCHEMBL29568411 0.89 KDM1A (0.53) MAPK8MAPK9MAPK10NPY4RNPY1R
SCHEMBL6520003 0.89 MAPK8 (0.45) MAPK8MAPK9MAPK10NPY4RNPY1R
SCHEMBL29570023 0.88 KDM1A (0.55) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250123280-A1 LABEL-FREE DETECTION OF PROTEASE ACTIVITY UNIV OREGON HEALTH & SCIENCE (US) 2025-04-17 — — US claimed
US-20250123280-A1 LABEL-FREE DETECTION OF PROTEASE ACTIVITY UNIV OREGON HEALTH & SCIENCE (US) 2025-04-17 — — US disclosed
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