SCHEMBL8919469

SCHEMBL8919469

CCCN(CCC)CC(=O)c1cnc2c(c1)oc(=O)n2C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
SIGMAR1 Q99720 2/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.32
HCAR3 P49019 2/20 0.31
TP53 P04637 1/20 0.31
SLC2A1 P11166 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
SCHEMBL8917897 0.83 SIGMAR1 (0.42) MAPK1ALDH1A1HPGDSIGMAR1LMNA
SCHEMBL8625701 0.82 ALDH1A1 (0.40) HSD17B10ALDH1A1HPGDSIGMAR1
SCHEMBL8626905 0.76 ALDH1A1 (0.43) HSD17B10ALDH1A1HPGDSIGMAR1TDP1
SCHEMBL8626022 0.72 ALDH1A1 (0.63) MAPK1HSD17B10ALDH1A1HPGDSIGMAR1
SCHEMBL19023154 0.69 HPGD (0.37) HSD17B10ALDH1A1HPGDTSHRTDP1
SCHEMBL8919693 0.68 POLB (0.46) ALDH1A1
SCHEMBL8919271 0.68 ALDH1A1 (0.53) MAPK1ALDH1A1HPGDTSHRTP53
SCHEMBL7326070 0.68 ALDH1A1 (0.35) ALDH1A1HPGDTSHRLMNA
SCHEMBL46341 0.67 ALDH1A1 (0.35) HSD17B10ALDH1A1HPGDTSHRTDP1
SCHEMBL8920278 0.66 MEN1 (0.51) MAPK1HSD17B10ALDH1A1SIGMAR1LMNA

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-5618819-A ANALGESICS ADIR ET COMPAGNIE (FR) 1997-04-08 US disclosed
EP-0691339-A1 Amine derivatives of 1,3-dihydro-2H-pyrrolo(2,3-b)pyridin-2-ones and oxazolo(4,5-b)pyridin-2(3H)-ones, their process of preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-01-10 EP disclosed