SCHEMBL8799090

SCHEMBL8799090

COc1ccc2c(c1)ONC(=O)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 2/20 0.47
GAA P10253 2/20 0.47
CA2 P00918 1/20 0.44
CA5A P35218 1/20 0.44
ACHE P22303 1/20 0.43
TDP2 O95551 1/20 0.43
PDE3B Q13370 2/20 0.42
PDE3A Q14432 2/20 0.42
DRD2 P14416 2/20 0.40
DRD1 P21728 2/20 0.40
DRD5 P21918 2/20 0.40
DRD3 P35462 2/20 0.40
DRD4 P21917 1/20 0.40
SRC P12931 1/20 0.40
EIF2AK2 P19525 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL8623559 0.87 GAA (0.50) METAP1GAACA2CA5ATDP2
SCHEMBL6111006 0.80 CA12 (0.44) METAP1GAAEIF2AK2CA12CA9
SCHEMBL2474488 0.78 METAP1 (0.42) METAP1ACHEMAOBKDM4EALDH1A1
SCHEMBL9200636 0.75 TDP2 (0.41) ACHETDP2MAOBMAPT
SCHEMBL10926837 0.75 ESR2 (0.42) CA2CA5ATDP2DRD2DRD1
SCHEMBL31525565 0.75 CA12 (0.54) METAP1CA2CA5AKDM4ENPC1
SCHEMBL14495775 0.75 CA12 (0.54) METAP1CA2CA5AKDM4ENPC1
SCHEMBL7349547 0.73 MAPT (0.49) TDP2KDM4ENPC1MAPTHPGD
SCHEMBL14885040 0.73 CA2 (0.45) METAP1CA2CA5AACHEPDE3B
SCHEMBL28470495 0.72 CA2 (0.45) METAP1GAACA2CA5AACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0506539-B1 Heterocyclic alkylamides, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1997-05-02 EP disclosed
US-5386034-A Treatment of sleeping, psychological and nervous system disorders; anxiolytic agents, ovulation regulators ADIR ET COMPAGNIE (FR) 1995-01-31 US disclosed
US-5326775-A Treating sleep disorders ADIR ET COMPAGNIE (FR) 1994-07-05 US disclosed
US-5322843-A Treating sleep disorders ADIR ET COMPAGNIE (FR) 1994-06-21 US disclosed
US-5322849-A Treating sleep disorders ADIR ET COMPAGNIE (FR) 1994-06-21 US disclosed
US-5300507-A Treating sleep disorders ADIR ET COMPAGNIE (FR) 1994-04-05 US disclosed
US-5240919-A Treating sleep disorders ADIR ET COMPAGNIE (FR) 1993-08-31 US disclosed
EP-0506539-A1 Heterocyclic alkylamides, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1992-09-30 EP disclosed