SCHEMBL8995954

SCHEMBL8995954

CCC(C)OP(=O)(O)CCCN(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.39
DPP7 Q9UHL4 1/20 0.37
RORC P51449 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
NR1D1 P20393 1/20 0.35
NR1H3 Q13133 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CNR2 P34972 1/20 0.34
KCNH2 Q12809 3/20 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
SCHEMBL9062747 0.78 ALOX15 (0.52) FDPSDPP7RORCALDH1A1HTT
SCHEMBL917066 0.77 HTT (0.37) FDPSALDH1A1HTTRAB9AGAA
SCHEMBL8995931 0.77 FDPS (0.43) FDPSDPP7RORCALDH1A1HTT
SCHEMBL8995950 0.74 MEN1 (0.39) FDPSRORCALDH1A1HTTRAB9A
SCHEMBL914853 0.71 HTT (0.39) FDPSALDH1A1HTTMAPTMEN1
SCHEMBL2834718 0.69 MMP1 (0.32)
SCHEMBL779433 0.69 TRPM8 (0.45)
SCHEMBL9129256 0.69 KCNH2 (0.62) MAPTKCNH2
SCHEMBL8987792 0.69 ALOX5 (0.47) ALDH1A1HTTRAB9AGAAMAPT
SCHEMBL4623191 0.68 PLA2G2C (0.33)

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