SCHEMBL13708593

SCHEMBL13708593

NC(N)=NC(=O)CC1c2cc(Cl)c(Cl)cc2C(=O)N1C1CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
HTR1A P08908 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
MAOA P21397 1/20 0.33
ADRA1D P25100 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
ADRA1A P35348 1/20 0.33
DRD3 P35462 1/20 0.33
OPRK1 P41145 1/20 0.33
HTR2B P41595 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL13708591 0.79 HTR2B (0.32) ADRA2AMEN1LMNACYP3A4HTR1A
SCHEMBL4484616 0.79 P2RX7 (0.32) MAPTHTT
SCHEMBL4471307 0.79 P2RX7 (0.32) MAPTHTT
SCHEMBL4471311 0.79 P2RX7 (0.32) MAPTHTT
SCHEMBL13708566 0.77 FFAR1 (0.34) ADRA2AMEN1LMNACYP3A4HTR1A
SCHEMBL13708618 0.69 SLC9A1 (0.40) HTR2BSLC9A1
SCHEMBL13708619 0.68 MDM2 (0.41) HTR2BBACE1SLC9A1
SCHEMBL13708597 0.66 HTR6 (0.33) HTR6
SCHEMBL13708555 0.64 HTR2B (0.40) HTR2BBACE1SLC9A1
SCHEMBL13708554 0.64 MDM2 (0.37) HTR2BBACE1SLC9A1

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-7589117-B2 Isoindolone derivatives, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-09-15 US disclosed
US-7589117-B2 Isoindolone derivatives, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-09-15 US disclosed