SCHEMBL7967830

SCHEMBL7967830

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.48
BCHE P06276 3/20 0.45
BACE1 P56817 6/20 0.45
SLC6A11 P48066 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
ENPP2 Q13822 1/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSH P09668 1/20 0.44
CTSD P07339 1/20 0.43
KLK5 Q9Y337 1/20 0.43

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
SCHEMBL7967827 1.00 CTSK (0.48) CTSKBCHEBACE1SLC6A11NPC1
SCHEMBL7698179 0.86 TRPM8 (0.56) CTSKBCHEBACE1SLC6A11CTSL
SCHEMBL4910315 0.86 TRPM8 (0.56) CTSKBCHEBACE1SLC6A11CTSL
SCHEMBL24324236 0.86 TRPM8 (0.56) CTSKBCHEBACE1SLC6A11CTSL
SCHEMBL5413813 0.86 TRPM8 (0.56) CTSKBCHEBACE1SLC6A11CTSL
SCHEMBL14395196 0.85 BACE1 (0.51) BCHEBACE1SLC6A11KLK5
SCHEMBL5863316 0.81 TRPM8 (0.53) CTSKBCHEBACE1ENPP2CTSL
SCHEMBL5863319 0.81 TRPM8 (0.53) CTSKBCHEBACE1ENPP2CTSL
SCHEMBL2188440 0.81 BACE1 (0.54) BCHEBACE1SLC6A11
SCHEMBL3324386 0.81 BACE1 (0.54) BCHEBACE1SLC6A11

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