SCHEMBL8970733

SCHEMBL8970733

COc1cc(NC(C)=O)c(Cl)cc1CC(=O)CCCl

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AGER Q15109 1/20 0.43
HTT P42858 1/20 0.42
ALDH1A1 P00352 3/20 0.41
POLB P06746 2/20 0.40
CYP3A4 P08684 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
RAB9A P51151 1/20 0.38
PGK1 P00558 1/20 0.38

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
SCHEMBL8971117 0.93 AGER (0.47) AGERHTTALDH1A1POLBCYP3A4
SCHEMBL10718171 0.84 AGER (0.48) AGERHTTALDH1A1POLBMEN1
SCHEMBL8971443 0.83 PGK1 (0.40) HTTALDH1A1POLBMEN1KMT2A
SCHEMBL8971710 0.80 HTR4 (0.48) ALDH1A1CYP3A4MEN1KMT2ALMNA
SCHEMBL8971982 0.80 SMN1; SMN2 (0.41) AGERALDH1A1CYP3A4MEN1KMT2A
SCHEMBL5757320 0.80 HTT (0.50) AGERHTTALDH1A1POLBMEN1
SCHEMBL8970918 0.79 MTNR1B (0.43) AGERALDH1A1POLBCYP3A4MEN1
SCHEMBL8970849 0.79 KDM4E (0.50) AGERALDH1A1POLBCYP3A4MEN1
SCHEMBL8971265 0.78 SMN1; SMN2 (0.42) AGERALDH1A1KMT2ALMNAMAPT
SCHEMBL8971536 0.77 MGAT2 (0.44) ALDH1A1MEN1KMT2ALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0700383-A1 NOVEL 1-PHENYLALKANONE 5-HT 4? RECEPTOR LIGANDS SYNTEX (U.S.A.) INC. (US) 1996-03-13 EP disclosed