SCHEMBL7455396

SCHEMBL7455396

CC(C)(C)OC(=O)N(c1ccc(C#N)cc1N)[C@@H]1CCNC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.36
SLC6A4 P31645 16/20 0.35
SLC6A2 P23975 15/20 0.35
SLC6A3 Q01959 9/20 0.35
CYP2D6 P10635 3/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
SSTR4 P31391 1/20 0.33
CHRM3 P20309 1/20 0.33
KCNH2 Q12809 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
SCHEMBL7455407 1.00 GPR119 (0.36) GPR119SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL4443673 0.80 RPLP1 (0.34) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL4442462 0.79 MEN1 (0.36) SLC6A4SLC6A2SLC6A3CYP2D6CHRM3
SCHEMBL4437552 0.79 SLC6A2 (0.39) SLC6A4SLC6A2SLC6A3CYP2D6NOS3
SCHEMBL4431999 0.79 MEN1 (0.34) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL4439873 0.79 SLC6A4 (0.36) SLC6A4SLC6A2SLC6A3CYP2D6CHRM3
SCHEMBL4436446 0.79 JAK2 (0.37) GPR119NOS3NOS1NOS2SSTR4
SCHEMBL4445222 0.78 RPLP1 (0.40) GPR119KCNH2
SCHEMBL4433912 0.78 FLT3 (0.35) GPR119SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL4444981 0.78 SLC6A4 (0.40) SLC6A4SLC6A2SLC6A3CYP2D6NOS3

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-1196391-A1 BENZIMIDAZOLONE DERIVATIVES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-04-17 EP disclosed
WO-2001005770-A1 BENZIMIDAZOLONE DERIVATIVES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-01-25 WO disclosed