SCHEMBL3985895

SCHEMBL3985895

CC(C)[C@@H](C(=O)N(C)[C@@H](Cc1ccc(O)c(C(C)(C)C)c1)C(N)=O)N(C)C(=O)C(N)Cc1ccc(F)nc1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.31
MMP9 P14780 2/20 0.31
MMP8 P22894 2/20 0.31
MMP13 P45452 2/20 0.31

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
SCHEMBL3989405 0.90 LOXL2 (0.30)
SCHEMBL13796752 0.89 SLC7A5 (0.32)
SCHEMBL13795944 0.89 SLC7A5 (0.32)
SCHEMBL13796424 0.88 SLC7A5 (0.32)
SCHEMBL13796798 0.86 SLC1A1 (0.34)
SCHEMBL3994987 0.85 KLKB1 (0.32)
SCHEMBL13796723 0.85 MC4R (0.34)
SCHEMBL13795593 0.84 POLB (0.33)
SCHEMBL13796824 0.83 NR1I2 (0.31)
SCHEMBL3993021 0.79 TRPA1 (0.33)

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-7553969-B1 Substituted phenethylamine derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-06-30 US disclosed
EP-1149843-A1 SUBSTITUTED PHENETHYLAMINE DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-10-31 EP disclosed