SCHEMBL3402804

SCHEMBL3402804

CCOC(=O)c1ccc(N2CC3=C(CN(OC(=O)OC(C)(C)C)C3)C2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.47
HRH3 Q9Y5N1 1/20 0.43
OGA O60502 1/20 0.43
LMNA P02545 1/20 0.41
CRBN Q96SW2 1/20 0.41
SGPL1 O95470 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP19A1 P11511 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PIK3CA P42336 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL8085019 0.88 P2RY12 (0.50) P2RY12HRH3OGALMNACRBN
SCHEMBL2297288 0.83 P2RY12 (0.58) P2RY12HRH3OGALMNASGPL1
SCHEMBL2296786 0.78 P2RY12 (0.53) P2RY12HRH3OGALMNACRBN
SCHEMBL3404518 0.78 OGA (0.43) HRH3OGALMNACRBNKMT2A
SCHEMBL2427846 0.77 P2RY12 (0.62) P2RY12HRH3OGACRBNHPGD
SCHEMBL31368898 0.75 P2RY12 (0.50) P2RY12HRH3OGALMNACRBN
SCHEMBL1010764 0.74 HRH3 (0.50) P2RY12HRH3OGALMNACRBN
SCHEMBL2295686 0.74 SCD (0.51) P2RY12HRH3LMNAHPGDSMN1; SMN2
SCHEMBL2820792 0.74 P2RY12 (0.64) P2RY12HRH3OGALMNAKMT2A
SCHEMBL3979540 0.74 P2RY12 (0.61) P2RY12HRH3OGALMNACRBN

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