SCHEMBL8995931

SCHEMBL8995931

O=P(O)(O)CCCN(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.43
DPP7 Q9UHL4 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KCNH2 Q12809 3/20 0.36
RORC P51449 1/20 0.36

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
SCHEMBL29774220 0.83 HDAC3 (0.51) ALDH1A1MEN1KMT2A
SCHEMBL9062747 0.79 ALOX15 (0.52) FDPSDPP7ALDH1A1HTTRAB9A
SCHEMBL8995950 0.77 MEN1 (0.39) FDPSALDH1A1HTTRAB9AMEN1
SCHEMBL8995954 0.77 FDPS (0.39) FDPSDPP7ALDH1A1HTTRAB9A
SCHEMBL8995934 0.77 HTT (0.44) DPP7ALDH1A1HTTRAB9AMEN1
SCHEMBL8987727 0.75 KCNH2 (0.44) DPP7ALDH1A1HTTRAB9AKCNH2
SCHEMBL8987627 0.75 CYP2C9 (0.47) DPP7ALDH1A1HTTRAB9ARORC
SCHEMBL8987696 0.75 HDAC3 (0.46) DPP7ALDH1A1HTTRAB9ARORC
SCHEMBL8995945 0.74 MEN1 (0.45) DPP7ALDH1A1HTTRAB9AMEN1
SCHEMBL9129256 0.73 KCNH2 (0.62) KCNH2

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
US-5538956-A G-AMINOBUTYRIC ACID AUTORECEPTOR AGONISTS, ANTIDEPRESSANTS, TREATING SENILE DEMENTIA JOHN WYETH & BROTHER, LIMITED (GB) 1996-07-23 US claimed
WO-1993011138-A1 AMINE DERIVATIVES CONTAINING A PHOSPHONIC, PHOSPHONOUS OR PHOSPHINIC ACID MOIETY JOHN WYETH & BROTHER LIMITED (GB) 1993-06-10 WO claimed
US-5538956-A G-AMINOBUTYRIC ACID AUTORECEPTOR AGONISTS, ANTIDEPRESSANTS, TREATING SENILE DEMENTIA JOHN WYETH & BROTHER, LIMITED (GB) 1996-07-23 US disclosed
WO-1993011138-A1 AMINE DERIVATIVES CONTAINING A PHOSPHONIC, PHOSPHONOUS OR PHOSPHINIC ACID MOIETY JOHN WYETH & BROTHER LIMITED (GB) 1993-06-10 WO disclosed