SCHEMBL7861690

SCHEMBL7861690

NC(=O)c1ccccc1OCC(O)CN1CC=C(c2ccc(F)cc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.71
THPO P40225 1/20 0.71
LMNA P02545 3/20 0.69
PMP22 Q01453 1/20 0.69
ABCB1 P08183 14/20 0.52
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
ALOX15 P16050 2/20 0.50
TSHR P16473 2/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
ALOX12 P18054 1/20 0.48
SIGMAR1 Q99720 1/20 0.47
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 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
SCHEMBL7860449 0.87 CYP2D6 (0.67) CYP2D6THPOLMNAPMP22ABCB1
SCHEMBL6021254 0.83 CYP2D6 (1.00) CYP2D6THPOLMNAPMP22ABCB1
SCHEMBL19944416 0.82 DRD2 (0.61) CYP2D6THPOLMNAPMP22SIGMAR1
SCHEMBL7862476 0.82 ABCB1 (0.65) LMNAABCB1KDM4EALDH1A1ALOX15
Hydrochloric Acid SCHEMBL2001258 0.82 LMNA (1.00) CYP2D6THPOLMNAPMP22ABCB1
SCHEMBL12618637 0.82 CYP2D6 (0.74) CYP2D6THPOLMNAPMP22ABCB1
SCHEMBL7703424 0.79 CYP2D6 (0.79) CYP2D6THPOLMNAPMP22ABCB1
SCHEMBL7854831 0.78 LMNA (0.58) CYP2D6THPOLMNAPMP22KDM4E
SCHEMBL8909812 0.77 CYP2D6 (0.49) CYP2D6THPOLMNAPMP22ABCB1
SCHEMBL7854934 0.76 LMNA (0.67) CYP2D6THPOLMNAPMP22KDM4E

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 7 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 claimed
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 claimed
US-5698565-A TREATMENT OF PSYCHOTIC DISORDERS HOFFMANN-LA ROCHE INC. (US) 1997-12-16 US claimed
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 claimed
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
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