SCHEMBL7861453

SCHEMBL7861453

CC(=O)Nc1cc(Cl)ccc1OCC(O)CN1CC=C(c2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.57
KDM4E B2RXH2 3/20 0.57
TSHR P16473 3/20 0.57
ALDH1A1 P00352 2/20 0.57
ALOX15 P16050 2/20 0.57
ALOX12 P18054 1/20 0.57
MAPT P10636 4/20 0.56
GAA P10253 1/20 0.56
CCR1 P32246 6/20 0.54
KCNH2 Q12809 1/20 0.47
ABCB11 O95342 1/20 0.46
THRB P10828 1/20 0.45
PRMT5 O14744 2/20 0.45
WDR77 Q9BQA1 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP2D6 P10635 2/20 0.44
THPO P40225 1/20 0.44
CYP1A2 P05177 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL7855115 0.89 LMNA (0.56) LMNAKDM4ETSHRALDH1A1ALOX15
SCHEMBL7860278 0.89 LMNA (0.59) LMNAKDM4ETSHRALDH1A1ALOX15
SCHEMBL6212840 0.78 ABCB11 (0.60) LMNATSHRALDH1A1MAPTCCR1
SCHEMBL7862476 0.78 ABCB1 (0.65) LMNAKDM4ETSHRALDH1A1ALOX15
SCHEMBL6211120 0.77 CCR1 (0.53) LMNATSHRMAPTCCR1KCNH2
SCHEMBL6214979 0.77 CCR1 (0.49) ALOX15ALOX12MAPTGAACCR1
SCHEMBL7854934 0.75 LMNA (0.67) LMNAKDM4ETSHRALDH1A1ALOX15
SCHEMBL7854831 0.75 LMNA (0.58) LMNAKDM4ETSHRALDH1A1ALOX15
SCHEMBL6211089 0.75 CCR1 (0.57) LMNATSHRMAPTCCR1ABCB11
SCHEMBL7860449 0.75 CYP2D6 (0.67) LMNAKDM4ETSHRALDH1A1ALOX15

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-0837680-B1 USE OF PHENOXY PYRIDINE DERIVATIVES FOR THE TREATMENT OF ILLNESSES CAUSED BY DISORDERS OF THE DOPAMINE SYSTEM HOFFMANN LA ROCHE (CH) 2001-01-31 EP disclosed
EP-0837680-A1 USE OF PHENOXY PYRIDINE DERIVATIVES FOR THE TREATMENT OF ILLNESSES CAUSED BY DISORDERS OF THE DOPAMINE SYSTEM F. HOFFMANN-LA ROCHE AG (CH) 1998-04-29 EP disclosed
US-5698565-A TREATMENT OF PSYCHOTIC DISORDERS HOFFMANN-LA ROCHE INC. (US) 1997-12-16 US disclosed
WO-1996041629-A1 USE OF PHENOXY PYRIDINE DERIVATIVES FOR THE TREATMENT OF ILLNESSES CAUSED BY DISORDERS OF THE DOPAMINE SYSTEM F. HOFFMANN-LA ROCHE AG (CH) 1996-12-27 WO disclosed