SCHEMBL7861680

SCHEMBL7861680

Cc1cccc(OCC(O)CN2CC=C(c3ccccc3)CC2)c1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.73
MAPT P10636 2/20 0.73
GAA P10253 2/20 0.73
KDM4E B2RXH2 2/20 0.73
ALDH1A1 P00352 2/20 0.73
LMNA P02545 2/20 0.73
ALOX15 P16050 2/20 0.73
KMT2A Q03164 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
MEN1 O00255 1/20 0.58
PRMT5 O14744 9/20 0.57
WDR77 Q9BQA1 9/20 0.57
SMN1; SMN2 Q16637 1/20 0.52
CYP2D6 P10635 1/20 0.52
THPO P40225 1/20 0.52
ALOX12 P18054 1/20 0.52
ACE2 Q9BYF1 1/20 0.51

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
SCHEMBL7865141 0.88 LMNA (0.66) TSHRMAPTGAAKDM4EALDH1A1
SCHEMBL7864713 0.85 LMNA (0.66) TSHRMAPTGAAKDM4EALDH1A1
SCHEMBL8910063 0.82 LMNA (0.59) TSHRMAPTGAAKDM4EALDH1A1
SCHEMBL7854934 0.82 LMNA (0.67) TSHRMAPTGAAKDM4EALDH1A1
SCHEMBL12618637 0.82 CYP2D6 (0.74) TSHRMAPTGAAKDM4EALDH1A1
SCHEMBL8702329 0.80 LMNA (0.57) TSHRMAPTGAAKDM4EALDH1A1
SCHEMBL7854831 0.80 LMNA (0.58) TSHRMAPTGAAKDM4EALDH1A1
SCHEMBL30002240 0.80 SMN1; SMN2 (0.81) TSHRMAPTGAAKDM4EALDH1A1
SCHEMBL20553614 0.80 SMN1; SMN2 (0.81) TSHRMAPTGAAKDM4EALDH1A1
SCHEMBL22639870 0.78 ACE2 (0.82) TSHRMAPTGAAKDM4EALDH1A1

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