SCHEMBL7792229

SCHEMBL7792229

COc1ccc(OC)c(C2NC(C)(C)CO2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.45
CHRNA1 P02708 2/20 0.42
CHRNG P07510 2/20 0.42
CHRNB1 P11230 2/20 0.42
CHRNB2 P17787 2/20 0.42
CHRNB4 P30926 2/20 0.42
CHRNA3 P32297 2/20 0.42
CHRNA4 P43681 2/20 0.42
CHRND Q07001 2/20 0.42
HTR2B P41595 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HTR7 P34969 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL7796336 0.86 CYP2C19 (0.43) CYP2C19HTR2BSIGMAR1HTR7TMEM97
SCHEMBL16381560 0.80 DRD2 (0.46) HTR2BALDH1A1SMN1; SMN2KDM4E
SCHEMBL7795756 0.77 CHRNA1 (0.46) CYP2C19CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL6302031 0.77 CHRNA1 (0.50) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL7796227 0.76 CHRNA1 (0.40) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL7794718 0.76 NPSR1 (0.36) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL19002080 0.75 MEN1 (0.38) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL8423985 0.73 CYP2C19 (0.52) CYP2C19GAALMNAALDH1A1HTT
SCHEMBL30036752 0.73 CYP2C19 (0.52) CYP2C19GAALMNAALDH1A1HTT
SCHEMBL10637412 0.71 CHRNA1 (0.33) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1160309-C Alkyloxyamino substituted fluorenones and their use as protein kinase cinhibitors �ճ�˹�������³˹��˾ 2004-08-04 CN disclosed
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
CN-1220660-A Alkyloxyamino substituted fluorenones and their use as protein kinase cinhibitors HOECHST MARION ROUSSEL INC (US) 1999-06-23 CN 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