SCHEMBL7989717

SCHEMBL7989717

[CH2]CCC1CCN(COC(C)=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.36
ACHE P22303 5/20 0.34
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
BCHE P06276 1/20 0.31
MCHR1 Q99705 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
TACR2 P21452 1/20 0.30
HSD11B1 P28845 1/20 0.30
CHRM4 P08173 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CHRM3 P20309 1/20 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
SCHEMBL7986102 0.88 SLC18A3 (0.37) SLC18A3ACHEBCHEALDH1A1LMNA
SCHEMBL7985517 0.83 ENO1 (0.34) ACHECHRM3
SCHEMBL7992391 0.77 SLC18A3 (0.37) SLC18A3BCHEALDH1A1LMNAHSD17B10
SCHEMBL7975128 0.76 SLC18A3 (0.36) SLC18A3ALDH1A1LMNAHSD17B10
SCHEMBL5680245 0.74 ALDH1A1 (0.34) ALDH1A1LMNAHSD17B10
SCHEMBL7989600 0.73 ENO1 (0.34) CHRM3
SCHEMBL5036796 0.73 ALDH1A1 (0.40) CHRM4ALDH1A1LMNAHSD17B10CHRM3
SCHEMBL7975125 0.72 SLC18A3 (0.36) SLC18A3BCHEALDH1A1LMNAHSD17B10
SCHEMBL3955878 0.72 EPHX2 (0.42)
SCHEMBL3955899 0.71 SMN1; SMN2 (0.45) HRH3HSD11B1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1328278-C N-acylamino acid amide compounds and intermediates for preparation thereof UBE INDUSTRIES (JP) 2007-07-25 CN disclosed
US-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
CN-1265661-A N-acylamino acid amide compounds and intermediates for preparation thereof UBE INDUSTRIES (JP) 2000-09-06 CN disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP disclosed