SCHEMBL8630456

SCHEMBL8630456

Cn1c(=O)oc2cc(CCCO)cnc21

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.36
KCNJ1 P48048 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
LMNA P02545 2/20 0.32
PKM P14618 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTR1A P08908 1/20 0.31
KDM4E B2RXH2 1/20 0.30
TLR7 Q9NYK1 1/20 0.30
POLB P06746 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
SCHEMBL8628216 0.92 PDE10A (0.35) PDE10AKCNJ1ALDH1A1HPGDLMNA
SCHEMBL8917996 0.80 SIGMAR1 (0.44) ALDH1A1HPGDHTR1APOLB
SCHEMBL8624806 0.80 HSD17B10 (0.35) PDE10AKCNJ1ALDH1A1HPGDLMNA
SCHEMBL7326070 0.79 ALDH1A1 (0.35) PDE10AKCNJ1ALDH1A1HPGDLMNA
SCHEMBL8918622 0.78 HRH3 (0.41) L3MBTL1HTR1A
SCHEMBL8919139 0.77 HRH3 (0.34) PDE10AALDH1A1HPGDLMNAPKM
SCHEMBL8921432 0.76 HTR1A (0.34) PDE10AALDH1A1HPGDLMNAPKM
SCHEMBL8625812 0.75 SIGMAR1 (0.42) PDE10AALDH1A1HPGDLMNAPKM
SCHEMBL8625594 0.75 PDE10A (0.32) PDE10AKCNJ1
SCHEMBL19023154 0.74 HPGD (0.37) ALDH1A1HPGDLMNAPKML3MBTL1

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