SCHEMBL3401438

SCHEMBL3401438

O=C(NCC1CC1)Oc1cnc(N2CC3=C(CNC3)C2)s1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FPR3 P25089 3/20 0.34
FPR2 P25090 3/20 0.34
ATG4B Q9Y4P1 1/20 0.33
CKS1B P61024 1/20 0.32
SKP1 P63208 1/20 0.32
SKP2 Q13309 1/20 0.32
NAMPT P43490 2/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
EGLN1 Q9GZT9 1/20 0.30
ACACB O00763 1/20 0.30
ACACA Q13085 1/20 0.30
ALDH1A1 P00352 1/20 0.30
DRD2 P14416 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
SCHEMBL2290030 0.82 HDAC3 (0.46) ATG4BCKS1BSKP1SKP2NAMPT
SCHEMBL3408629 0.81 NAMPT (0.38) NAMPT
SCHEMBL3406865 0.78 LMNA (0.38) ACACBACACADRD2
SCHEMBL3407347 0.76 SCD (0.47)
SCHEMBL2290239 0.68 HDAC2 (0.41) HDAC3HDAC4HDAC6
SCHEMBL2297207 0.66 OGA (0.48) HDAC3HDAC4HDAC6ALDH1A1
SCHEMBL2290893 0.64 NAMPT (0.53) NAMPTHDAC3HDAC4HDAC6
SCHEMBL2294470 0.62 CHRM4 (0.45) HDAC6EGLN1
SCHEMBL2292781 0.61 SNCA (0.39) CKS1BSKP1SKP2HDAC3HDAC4
SCHEMBL4035553 0.61 HDAC2 (0.40) HDAC3HDAC4HDAC6DRD2

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 1 patent. 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