SCHEMBL8628216

SCHEMBL8628216

Cn1c(=O)oc2cc(CCO)cnc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.35
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KCNJ1 P48048 3/20 0.33
HPGD P15428 2/20 0.33
PKM P14618 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 3/20 0.33
ADORA2B P29275 1/20 0.33
ABL1 P00519 1/20 0.32
PDGFRB P09619 1/20 0.32
SRC P12931 1/20 0.32
PDGFRA P16234 1/20 0.32
MAPK14 Q16539 1/20 0.32
POLB P06746 1/20 0.31
SYK P43405 1/20 0.31

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
SCHEMBL8630456 0.92 PDE10A (0.36) PDE10AALDH1A1KDM4EKCNJ1HPGD
SCHEMBL8624806 0.82 HSD17B10 (0.35) PDE10AALDH1A1KDM4EMEN1KMT2A
SCHEMBL7326070 0.81 ALDH1A1 (0.35) PDE10AALDH1A1KDM4EMEN1KMT2A
SCHEMBL8918622 0.81 HRH3 (0.41) TDP1L3MBTL1SYK
SCHEMBL8921432 0.78 HTR1A (0.34) PDE10AALDH1A1MEN1KMT2AHPGD
SCHEMBL8625812 0.77 SIGMAR1 (0.42) PDE10AALDH1A1RXFP1HPGDPKM
SCHEMBL8625594 0.77 PDE10A (0.32) PDE10AKCNJ1
SCHEMBL8917996 0.77 SIGMAR1 (0.44) ALDH1A1KMT2AHPGDSRCPOLB
SCHEMBL19023154 0.76 HPGD (0.37) ALDH1A1KDM4EMEN1KMT2ATDP1
SCHEMBL46341 0.74 ALDH1A1 (0.35) ALDH1A1MEN1KMT2ATDP1HPGD

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