SCHEMBL8624679

SCHEMBL8624679

C=Cc1cnc2c(c1)oc(=O)n2C

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.33
PDE1B Q01064 1/20 0.33
LMNA P02545 2/20 0.32
HPGD P15428 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 2/20 0.32
HTT P42858 1/20 0.32
CYP11B2 P19099 2/20 0.32
MEN1 O00255 1/20 0.31
PABPC1 P11940 1/20 0.31
KMT2A Q03164 1/20 0.31
JAK3 P52333 1/20 0.31
KDM1A O60341 1/20 0.30
KCNJ1 P48048 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ADORA2B P29275 1/20 0.30
PKM P14618 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
SCHEMBL46341 0.77 ALDH1A1 (0.35) LMNAHPGDALDH1A1HSD17B10HTT
SCHEMBL7328412 0.76 HSD17B10 (0.53) LMNAHPGDALDH1A1HSD17B10HTT
SCHEMBL21377510 0.76 HSD17B10 (0.53) LMNAHPGDALDH1A1HSD17B10HTT
SCHEMBL19023154 0.76 HPGD (0.37) LMNAHPGDALDH1A1HSD17B10HTT
SCHEMBL8473870 0.76 HSD17B10 (0.34) LMNAHPGDALDH1A1HSD17B10HTT
SCHEMBL17432908 0.76 HSD17B10 (0.34) LMNAHPGDALDH1A1HSD17B10HTT
SCHEMBL8624806 0.75 HSD17B10 (0.35) LMNAHPGDALDH1A1HSD17B10HTT
SCHEMBL8625594 0.74 PDE10A (0.32) KDM1AKCNJ1
SCHEMBL8628216 0.73 PDE10A (0.35) LMNAHPGDALDH1A1HSD17B10HTT
SCHEMBL8627277 0.73 KCNJ1 (0.38) HPGDALDH1A1HSD17B10CYP11B2KCNJ1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5767128-A ANALGESICS ADIR ET COMPAGNIE (FR) 1998-06-16 US disclosed
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