SCHEMBL7555545

SCHEMBL7555545

CCCN(C(=O)OC)c1c(C(=O)CC(=O)C2CC2)ccc(Cl)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 3/20 0.35
DRD2 P14416 2/20 0.32
DRD3 P35462 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
HTT P42858 2/20 0.32
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ERCC5 P28715 1/20 0.30
FEN1 P39748 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL7557956 0.91 SLC6A4 (0.35) SLC6A2SLC6A4SLC6A3DRD2HTT
SCHEMBL7557202 0.85 LMNA (0.33)
SCHEMBL7553419 0.84 SLC6A4 (0.36) SLC6A2SLC6A4SLC6A3DRD2MEN1
SCHEMBL7554533 0.83 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL7550331 0.82 SLC6A4 (0.39) SLC6A2SLC6A4SLC6A3CHRM2CHRM1
SCHEMBL7552036 0.81 ALDH1A1 (0.34) SLC6A2SLC6A4MEN1CYP1A2CYP3A4
SCHEMBL7552294 0.81 SLC6A4 (0.35) SLC6A2SLC6A4SLC6A3DRD2MEN1
SCHEMBL7554657 0.81 CLCN2 (0.35) HTTMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL7553022 0.81 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3CYP3A4KMT2A
SCHEMBL8145066 0.80 KMT2A (0.37) DRD2DRD3HTTMEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0734380-B1 4-BENZOYLISOXAZOLES AND THEIR USE AS HERBICIDES AVENTIS AGRICULTURE LTD (GB) 2002-07-10 EP disclosed
US-6369270-B1 CHEMICAL INTERMEDIATES RHONE POULENC AGRICULTURE LIMITED (GB) 2002-04-09 US disclosed
US-5998653-A CHEMICAL INTERMEDIATE FOR HERBICIDES RHONE POULENC AGRICULTURE LIMITED (GB) 1999-12-07 US disclosed
US-5658858-A POSTEMERGENCE HERBICIDES RHONE-POULENC ARGRICULTURE LIMITED (GB) 1997-08-19 US disclosed
EP-0734380-A1 4-BENZOYLISOXAZOLES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1996-10-02 EP disclosed
WO-1995016678-A1 4-BENZOYLISOXAZOLES AND THEIR USE AS HERBICIDES RHONE POULENC AGRICULTURE LIMITED (GB) 1995-06-22 WO disclosed