SCHEMBL7864576

SCHEMBL7864576

OCc1ccccc1OCC(O)CN1CC=C(c2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.55
MAPT P10636 4/20 0.55
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 3/20 0.55
ALOX15 P16050 2/20 0.55
TSHR P16473 2/20 0.55
GAA P10253 2/20 0.55
ALOX12 P18054 1/20 0.53
CYP2D6 P10635 1/20 0.50
THPO P40225 1/20 0.50
PMP22 Q01453 1/20 0.49
TP53 P04637 1/20 0.47
THRB P10828 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
USP2 O75604 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46

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
SCHEMBL7862516 0.85 MAPT (0.62) LMNAMAPTKDM4EALDH1A1ALOX15
SCHEMBL7854934 0.85 LMNA (0.67) LMNAMAPTKDM4EALDH1A1ALOX15
SCHEMBL7854831 0.85 LMNA (0.58) LMNAMAPTKDM4EALDH1A1ALOX15
SCHEMBL7862476 0.81 ABCB1 (0.65) LMNAMAPTKDM4EALDH1A1ALOX15
SCHEMBL7860278 0.79 LMNA (0.59) LMNAMAPTKDM4EALDH1A1ALOX15
SCHEMBL7881236 0.79 HTR1A (0.55) LMNAMAPTKDM4EALDH1A1ALOX15
SCHEMBL8908157 0.79 KDM4E (0.55) LMNAMAPTKDM4EALDH1A1ALOX15
SCHEMBL12618637 0.78 CYP2D6 (0.74) LMNAMAPTKDM4EALDH1A1ALOX15
SCHEMBL8702329 0.77 LMNA (0.57) LMNAMAPTKDM4EALDH1A1ALOX15
SCHEMBL7861680 0.76 TSHR (0.73) LMNAMAPTKDM4EALDH1A1ALOX15

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