SCHEMBL7973375

SCHEMBL7973375

CCCCOC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(N)CC(C)C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.47
REN P00797 2/20 0.45
PSEN1 P49768 3/20 0.44
PSEN2 P49810 3/20 0.44
APH1B Q8WW43 3/20 0.44
NCSTN Q92542 3/20 0.44
APH1A Q96BI3 3/20 0.44
PSENEN Q9NZ42 3/20 0.44
ANPEP P15144 1/20 0.43
LTA4H P09960 1/20 0.43
APP P05067 1/20 0.43
CSNK1E P49674 1/20 0.43
ACE P12821 1/20 0.42
ACE2 Q9BYF1 1/20 0.42

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
SCHEMBL7697541 0.86 CTSK (0.57) CTSKACE2
SCHEMBL6332850 0.86 CTSK (0.57) CTSKACE2
SCHEMBL7173287 0.82 PSEN1 (0.57) CTSKRENPSEN1PSEN2APH1B
SCHEMBL892964 0.82 PSEN1 (0.57) CTSKRENPSEN1PSEN2APH1B
SCHEMBL3324393 0.81 LTA4H (0.49) RENANPEPLTA4H
SCHEMBL7967827 0.79 CTSK (0.48) CTSK
SCHEMBL7967830 0.79 CTSK (0.48) CTSK
Cadaverine Tartrate SCHEMBL9016048 0.77 REN (0.48) CTSKRENANPEPLTA4HCSNK1E
SCHEMBL7278549 0.76 CAPN1 (0.59)
SCHEMBL7278543 0.76 CAPN1 (0.59)

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
WO-2001012599-A1 NEW ETHYLAZIRIDINE DERIVATIVES AND THEIR PREPARATION METHODS SAMCHULLY PHARM CO., LTD. (KR) 2001-02-22 WO disclosed