SCHEMBL13708583

SCHEMBL13708583

NC(N)=NC(=O)CC1c2cc(C(F)(F)F)ccc2C(=O)N1CC1CC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.35
HTR6 P50406 1/20 0.34
CNR2 P34972 8/20 0.34
CNR1 P21554 5/20 0.34
CYP11B1 P15538 5/20 0.33
CYP11B2 P19099 5/20 0.33
LIPC P11150 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
KDM2B Q8NHM5 1/20 0.33
ICMT O60725 1/20 0.33
BACE1 P56817 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
SCHEMBL13708585 0.93 SLC9A1 (0.37) SLC9A1HTR6CNR2CNR1CYP11B1
SCHEMBL6275044 0.86 BACE1 (0.34) SLC9A1HTR6CYP11B1CYP11B2BACE1
SCHEMBL13079029 0.86 BACE1 (0.34) SLC9A1HTR6CYP11B1CYP11B2BACE1
SCHEMBL4467104 0.86 FFAR4 (0.40) CYP11B1CYP11B2LIPCLIPGKDM2B
SCHEMBL13708607 0.84 SCN5A (0.34) SLC9A1HTR6CNR2BACE1
SCHEMBL13708618 0.84 SLC9A1 (0.40) SLC9A1CYP11B1CYP11B2
SCHEMBL13708560 0.83 CACNA1B (0.35) SLC9A1CNR2CYP11B1CYP11B2ICMT
SCHEMBL4473805 0.83 CYP11B1 (0.35) CNR2CYP11B1CYP11B2LIPCLIPG
SCHEMBL4473718 0.83 CYP11B1 (0.35) CNR2CYP11B1CYP11B2LIPCLIPG
SCHEMBL4473169 0.83 CYP11B1 (0.35) CNR2CYP11B1CYP11B2LIPCLIPG

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