SCHEMBL8995950

SCHEMBL8995950

CCOP(=O)(CCCN(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1)OCC

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KCNH2 Q12809 5/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.36
FDPS P14324 1/20 0.36
CNR2 P34972 1/20 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
SCHEMBL29774222 0.85 BCHE (0.44) MEN1KMT2A
SCHEMBL1833138 0.80 FDPS (0.43) KCNH2ALDH1A1POLBFDPS
SCHEMBL8065724 0.79 LMNA (0.44)
SCHEMBL11301094 0.79 KCNH2 (0.42) KCNH2ALDH1A1POLBFDPS
SCHEMBL9062747 0.79 ALOX15 (0.52) MEN1KMT2AKCNH2ALDH1A1HTT
SCHEMBL8995931 0.77 FDPS (0.43) MEN1KMT2AKCNH2ALDH1A1HTT
SCHEMBL10912425 0.77 TAAR1 (0.44) MEN1KMT2AALDH1A1NPC1POLB
SCHEMBL4933808 0.76 AOX1 (0.42)
SCHEMBL9129256 0.74 KCNH2 (0.62) KCNH2MAPT
SCHEMBL8995954 0.74 FDPS (0.39) MEN1KMT2AKCNH2ALDH1A1HTT

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