SCHEMBL8588987

SCHEMBL8588987

COC(=O)c1ccccc1COc1ccc(CCN)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.57
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
LMNA P02545 2/20 0.49
ALDH1A1 P00352 1/20 0.49
FFAR1 O14842 3/20 0.46
FFAR4 Q5NUL3 3/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PLG P00747 1/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
SCN9A Q15858 1/20 0.46
SCN3A Q9NY46 1/20 0.45

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
Hydrochloric Acid SCHEMBL4002659 0.99 MAOB (0.59) MAOBPOLBMAPTSMN1; SMN2LMNA
SCHEMBL3997587 0.88 FFAR1 (0.50) POLBMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL5989500 0.86 NPC1 (0.56) POLBMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL3997793 0.86 LTA4H (0.56) POLBMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL9843420 0.86 FFAR1 (0.64) FFAR1FFAR4
SCHEMBL8587673 0.85 MAOB (0.61) MAOBFFAR1FFAR4SCN3A
SCHEMBL3995121 0.85 SLC6A5 (0.48) MAOBPOLBMAPTSMN1; SMN2LMNA
SCHEMBL13869734 0.85 FFAR1 (0.52) POLBMAPTSMN1; SMN2LMNAALDH1A1
Hydrochloric Acid SCHEMBL6157166 0.84 MAOB (0.63) MAOBFFAR1FFAR4
SCHEMBL3998062 0.84 FFAR1 (0.52) MAOBSMN1; SMN2LMNAFFAR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998037056-A1 PHENOXYPROPANOLAMINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM PLC (GB) 1998-08-27 WO disclosed