SCHEMBL8625812

SCHEMBL8625812

Cn1c(=O)oc2cc(Cc3ccccc3)cnc21

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.42
ALDH1A1 P00352 3/20 0.41
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 1/20 0.40
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
MIF P14174 3/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CD74 P04233 1/20 0.37
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
NPC1 O15118 1/20 0.36
PDE10A Q9Y233 1/20 0.36
HCAR1 Q9BXC0 1/20 0.36

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
SCHEMBL8624806 0.80 HSD17B10 (0.35) ALDH1A1PKML3MBTL1HPGDLMNA
SCHEMBL8628216 0.77 PDE10A (0.35) ALDH1A1PKML3MBTL1HPGDLMNA
SCHEMBL8918497 0.77 DRD4 (0.53) ALDH1A1LMNA
SCHEMBL8918424 0.76 HTR1A (0.51) SIGMAR1
SCHEMBL7326070 0.76 ALDH1A1 (0.35) ALDH1A1PKML3MBTL1HPGDLMNA
SCHEMBL8626022 0.75 ALDH1A1 (0.63) SIGMAR1ALDH1A1L3MBTL1HPGDLMNA
SCHEMBL8625594 0.75 PDE10A (0.32) PDE10A
SCHEMBL8630456 0.75 PDE10A (0.36) ALDH1A1PKML3MBTL1HPGDLMNA
SCHEMBL8919081 0.73 PDE1B (0.41) ALDH1A1HPGDTSHR
SCHEMBL8921700 0.73 ALDH1A1 (0.42) ALDH1A1PKMHPGDLMNA

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