SCHEMBL5280302

SCHEMBL5280302

COc1cc(C(Cc2ccccc2)C2CNCC2c2cccc(C(C)C)c2)ccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
ROCK2 O75116 1/20 0.35
KDM1A O60341 3/20 0.33
DPP4 P27487 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL2929370 0.75 REN (0.45) SLC6A2SLC6A4SLC6A3ROCK2
SCHEMBL8264382 0.75 REN (0.45) SLC6A2SLC6A4SLC6A3ROCK2
SCHEMBL2929371 0.75 REN (0.45) SLC6A2SLC6A4SLC6A3ROCK2
SCHEMBL2930717 0.73 REN (0.40) ROCK2DPP4
SCHEMBL2930718 0.73 REN (0.40) ROCK2DPP4
SCHEMBL13404498 0.73 REN (0.40) ROCK2DPP4
SCHEMBL1104690 0.67 ALDH1A1 (0.47) MAPTNPSR1MEN1ALDH1A1KMT2A
SCHEMBL2778973 0.64 SLC6A3 (0.40) SLC6A2SLC6A4SLC6A3MAPTMEN1
SCHEMBL2778975 0.64 SLC6A3 (0.40) SLC6A2SLC6A4SLC6A3MAPTMEN1
SCHEMBL2778970 0.63 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3

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
EP-1836163-A2 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN Novartis AG (CH) 2007-09-26 EP claimed
WO-2006066896-A2 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN NOVARTIS AG (CH) 2006-06-29 WO claimed