SCHEMBL7300764

SCHEMBL7300764

OC1(c2ccc3c(c2)OC2(CCCCC2)O3)CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MEN1 O00255 1/20 0.46
MITF O75030 1/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
DRD2 P14416 1/20 0.45
SIGMAR1 Q99720 3/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SYK P43405 1/20 0.33
SLC6A3 Q01959 3/20 0.33

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
SCHEMBL7299697 0.85 DRD2 (0.47) MAPTKDM4EALDH1A1MEN1MITF
SCHEMBL615579 0.75 DRD2 (0.50) ALDH1A1MEN1GAAMAPK1KMT2A
SCHEMBL8636443 0.75 DRD2 (0.50) MAPTKDM4EALDH1A1MEN1GAA
Hydrochloric Acid SCHEMBL6734307 0.74 DRD2 (0.49) ALDH1A1MEN1GAAMAPK1KMT2A
SCHEMBL25556864 0.70 DRD2 (0.44) MAPTKDM4EALDH1A1DRD2SIGMAR1
SCHEMBL18294780 0.69 PDE2A (0.41) NPC1RAB9A
SCHEMBL31628136 0.69 ALDH1A1 (0.56) MAPTKDM4EALDH1A1MEN1MITF
SCHEMBL12044484 0.69 ALDH1A1 (0.63) MAPTKDM4EALDH1A1MEN1MITF
SCHEMBL31628073 0.69 TSHR (0.49) MAPTKDM4EALDH1A1MEN1MITF
SCHEMBL8806322 0.69 DRD2 (0.46) MAPTSMN1; SMN2DRD2SIGMAR1NPC1

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
EP-0459256-B1 Oxazolidinones with CNS-depressant activity MERCK PATENT GMBH (DE) 1995-07-12 EP disclosed
US-5232931-A OXAZOLIDINONES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-08-03 US disclosed
EP-0459256-A1 Oxazolidinones with CNS-depressant activity MERCK PATENT GmbH (DE) 1991-12-04 EP disclosed