SCHEMBL3408629

SCHEMBL3408629

CC(C)CCNC(=O)Oc1cnc(N2CC3=C(CNC3)C2)s1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 11/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
SNCA P37840 1/20 0.30
HTT P42858 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
SCHEMBL2290893 0.83 NAMPT (0.53) NAMPTLMNASNCA
SCHEMBL3407377 0.80 FAAH (0.43) NAMPTMAPTHTT
SCHEMBL3406868 0.79 NAMPT (0.38) NAMPTLMNAHTT
SCHEMBL3406866 0.77 SCD (0.52) NAMPT
SCHEMBL3408430 0.75 HPGD (0.49) NAMPTLMNAMAPT
SCHEMBL2299341 0.69 NAMPT (0.54) NAMPTLMNASNCA
SCHEMBL2297207 0.67 OGA (0.48) LMNAMAPTHRH3HTT
SCHEMBL8098134 0.67 NAMPT (0.49) NAMPTLMNASNCA
SCHEMBL3407350 0.66 NAMPT (0.46) NAMPTLMNASNCA
SCHEMBL4035553 0.65 HDAC2 (0.40) LMNAMAPTHRH3SNCA

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
EP-2152711-B1 2 -HETEROARYL- PYRROLO [3, 4-C]PYRROLE DERIVATIVES AND THEIR USE AS SCD INHIBITORS SANOFI AVENTIS (FR) 2010-11-24 EP disclosed
EP-2152711-A1 2 -HETEROARYL- PYRROLO [3, 4-C]PYRROLE DERIVATIVES AND THEIR USE AS SCD INHIBITORS Sanofi-Aventis (FR) 2010-02-17 EP disclosed
WO-2008135141-A1 2 -HETEROARYL- PYRROLO [3, 4-C] PYRROLE DERIVATIVES AND THEIR USE AS SCD INHIBITORS SANOFI-AVENTIS (FR) 2008-11-13 WO disclosed