SCHEMBL8757973

SCHEMBL8757973

NCCc1ccc(OCc2ccccc2[PH](=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.59
FFAR1 O14842 3/20 0.45
FFAR4 Q5NUL3 2/20 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
SCHEMBL8758116 0.82 KDM4E (0.47) MAOBFFAR1FFAR4
SCHEMBL8727296 0.80 SLC6A4 (0.44) MAOB
SCHEMBL8727305 0.80 SLC6A4 (0.44) MAOB
SCHEMBL8634988 0.80 MAOB (0.45) MAOBFFAR1FFAR4
SCHEMBL8636622 0.77 KDM4E (0.49) MAOB
SCHEMBL8757963 0.77 MAOB (0.59) MAOB
SCHEMBL8587673 0.76 MAOB (0.61) MAOBFFAR1FFAR4
Hydrochloric Acid SCHEMBL6157166 0.75 MAOB (0.63) MAOBFFAR1FFAR4
Hydrochloric Acid SCHEMBL27990941 0.74 MAOB (0.70) MAOB
SCHEMBL8588987 0.73 MAOB (0.57) MAOBFFAR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0772585-A1 ARYLOXY AND ARYLTHIOPROPANOLAMINE DERIVATIVES USEFUL AS BETA 3-ADRENORECEPTOR AGONISTS AND ANTAGONISTS OF THE BETA 1 AND BETA 2-ADRENORECEPTORS AND PHARMACEUTICAL COMPOSITION THEREOF SMITHKLINE BEECHAM PLC (GB) 1997-05-14 EP disclosed
WO-1996004233-A1 ARYLOXY AND ARYLTHIOPROPANOLAMINE DERIVATIVES USEFUL AS BETA 3-ADRENORECEPTOR AGONISTS AND ANTAGONISTS OF THE BETA 1 AND BETA 2-ADRENORECEPTORS AND PHARMACEUTICAL COMPOSITION THEREOF SMITHKLINE BEECHAM PLC (GB) 1996-02-15 WO disclosed