SCHEMBL7795756

SCHEMBL7795756

COc1cccc(-c2c(OC)cccc2C2NC(C)(C)CO2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.46
CHRNG P07510 1/20 0.46
CHRNB1 P11230 1/20 0.46
CHRNB2 P17787 1/20 0.46
SLC6A2 P23975 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA4 P43681 1/20 0.46
SLC6A3 Q01959 1/20 0.46
CHRND Q07001 1/20 0.46
ALDH1A1 P00352 2/20 0.40
CASP1 P29466 2/20 0.40
USP2 O75604 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
HTR1A P08908 1/20 0.38
HTR7 P34969 1/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 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
SCHEMBL7796227 0.88 CHRNA1 (0.40) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL16381560 0.78 DRD2 (0.46) ALDH1A1USP2MAPTKDM4ESMN1; SMN2
SCHEMBL6302031 0.77 CHRNA1 (0.50) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL7792229 0.77 CYP2C19 (0.45) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL9277221 0.69 SLC6A2 (0.39) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL7794718 0.68 NPSR1 (0.36) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL19002080 0.67 MEN1 (0.38) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL7796258 0.65 GPR35 (0.55) ALDH1A1HPGDKDM4ETP53SMN1; SMN2
SCHEMBL7796336 0.64 CYP2C19 (0.43) ALDH1A1MAPTHPGDHTR7KDM4E
SCHEMBL5849737 0.64 CYP1A1 (0.65) HTR7KDM4ETP53TSHRSMN1; SMN2

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