SCHEMBL7794718

SCHEMBL7794718

COc1ccc(-c2ccccc2OC(C)C)c(C2NC(C)(C)CO2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.36
CHRNA1 P02708 2/20 0.35
CHRNG P07510 2/20 0.35
CHRNB1 P11230 2/20 0.35
CHRNB2 P17787 2/20 0.35
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
CHRNA4 P43681 2/20 0.35
CHRND Q07001 2/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CYP19A1 P11511 1/20 0.34
ADRA1D P25100 2/20 0.34
ADRA1A P35348 2/20 0.34
ADRA1B P35368 2/20 0.34
STK10 O94804 1/20 0.34
SLK Q9H2G2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RORC P51449 1/20 0.34

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
Iodide SCHEMBL7794834 0.80 MAPT (0.35) NPSR1CYP19A1ADRA1DADRA1AADRA1B
SCHEMBL8384152 0.79 MAPT (0.35) NPSR1CYP19A1ADRA1DADRA1AADRA1B
SCHEMBL7792229 0.76 CYP2C19 (0.45) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL16381560 0.71 DRD2 (0.46) MEN1KMT2ADRD2HTR2B
Iodide SCHEMBL7794833 0.69 NPSR1 (0.36) NPSR1ADRA1DADRA1AADRA1BMEN1
SCHEMBL6302031 0.68 CHRNA1 (0.50) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL7795756 0.68 CHRNA1 (0.46) NPSR1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL23747291 0.68 NPSR1 (0.48) NPSR1ADRA1DADRA1AADRA1BHTR7
SCHEMBL7796227 0.68 CHRNA1 (0.40) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL7792439 0.66 LMNA (0.46) CYP19A1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0906268-B1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS AVENTIS PHARMA INC (US) 2001-11-28 EP disclosed
US-6004959-A HYPOTENSIVE, ANTITUMOR, ANTIINFLAMMATORY AND ANTIASTHMATIC AGENTS; ANGIOGENESIS AND ALVEOLAR MACROPHAGE ACTIVATION INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1999-12-21 US disclosed
EP-0906268-A1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1999-04-07 EP disclosed
WO-1997045397-A1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1997-12-04 WO disclosed