SCHEMBL8995952

SCHEMBL8995952

O=[PH](OCCCN(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1)OCCCN(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 1/20 0.37
DPP7 Q9UHL4 1/20 0.36
KCNH2 Q12809 5/20 0.36
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
GAA P10253 1/20 0.35
NR1D1 P20393 1/20 0.34
NR1H3 Q13133 1/20 0.34

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
SCHEMBL29286607 0.73 TAAR1 (0.50)
SCHEMBL8995945 0.73 MEN1 (0.45) KMT2AMEN1MAPTDPP7KCNH2
SCHEMBL9129256 0.72 KCNH2 (0.62) MAPTKCNH2
SCHEMBL8995934 0.72 HTT (0.44) KMT2AMEN1L3MBTL1MAPTDPP7
SCHEMBL9129725 0.70 TAAR1 (0.47) MAPTDPP7KCNH2
SCHEMBL8987727 0.70 KCNH2 (0.44) L3MBTL1MAPTDPP7KCNH2ALDH1A1
SCHEMBL8987627 0.70 CYP2C9 (0.47) MAPTDPP7ALDH1A1HTTRAB9A
SCHEMBL8987696 0.70 HDAC3 (0.46) TSHRMAPTDPP7ALDH1A1HTT
SCHEMBL17181662 0.69 IDO1 (0.52) KMT2AMEN1MAPTALDH1A1RAB9A
SCHEMBL8995931 0.69 FDPS (0.43) KMT2AMEN1DPP7KCNH2ALDH1A1

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
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