SCHEMBL22344801

SCHEMBL22344801

O=C=NCCCCCCN(CCCCCCN1C(=O)N(CCCCCCN=C=O)C1=O)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.32
MAOB P27338 6/20 0.32
BCHE P06276 1/20 0.31
MAOA P21397 1/20 0.31
PTGS1 P23219 4/20 0.30
PTGS2 P35354 4/20 0.30

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
SCHEMBL12487111 0.84 MAOA (0.35) MAOBMAOA
SCHEMBL1985393 0.83 MGLL (0.37) PTGS1PTGS2
SCHEMBL26107057 0.83 MGLL (0.37) PTGS1PTGS2
SCHEMBL6231305 0.77 ZDHHC20 (0.40)
SCHEMBL22180486 0.75 HSP90AA1 (0.31)
SCHEMBL13045601 0.72 HSP90AA1 (0.31)
SCHEMBL11290899 0.72 ALDH1A1 (0.37) MAOBMAOA
SCHEMBL20893288 0.72 GBA1 (0.34)
SCHEMBL1768333 0.72 MAOA (0.30) MAOBMAOA
SCHEMBL11870587 0.70

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
US-20200261207-A1 PRO-HEALING ELASTIC ANGIOGENIC MICROPOROUS VASCULAR GRAFT UNIVERSITY OF WASHINGTON (US) 2020-08-20 US claimed