SCHEMBL7981775

SCHEMBL7981775

CN(CCCCCCO)c1cccc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.52
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CETP P11597 2/20 0.40
TRPV4 Q9HBA0 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
TP53 P04637 1/20 0.38
TLR8 Q9NR97 1/20 0.38
GAA P10253 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PDK2 Q15119 1/20 0.36
RORC P51449 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
TRPV1 Q8NER1 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
SCHEMBL8032626 0.87 HTR7 (0.47) HTR7MEN1KMT2ACETPTRPV4
SCHEMBL4089138 0.81 MLYCD (0.42) HTR7TLR8
SCHEMBL19265466 0.80 HTR7 (0.43) HTR7MEN1KMT2ACETPTP53
SCHEMBL5541971 0.78 HTR7 (0.42) HTR7MEN1KMT2ACETPTP53
SCHEMBL20961742 0.77 HTR7 (0.50) HTR7KMT2AMTNR1AMTNR1BALDH1A1
SCHEMBL10700469 0.76 MEN1 (0.54) MEN1KMT2ACETPGAACYP3A4
SCHEMBL4617153 0.76 CETP (0.43) MEN1KMT2ACETPTP53GAA
SCHEMBL9436565 0.76 OPRM1 (0.46) HTR7
SCHEMBL3038423 0.76 OPRM1 (0.46) HTR7
SCHEMBL5538898 0.74 CETP (0.42) HTR7MEN1KMT2ACETPTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6214833-B1 MADE BY ACYLATION ZAMBON GROUP S.P.A. (IT) 2001-04-10 US disclosed
EP-0970075-A1 PYRIMIDINONE-1,3-OXATHIOLANE DERIVATIVES WITH ANTIVIRAL ACTIVITY ZAMBON GROUP S.p.A. (IT) 2000-01-12 EP disclosed
WO-1998043972-A1 PYRIMIDINONE-1,3-OXATHIOLANE DERIVATIVES WITH ANTIVIRAL ACTIVITY ZAMBON GROUP S.P.A. (IT) 1998-10-08 WO disclosed