SCHEMBL7590748

SCHEMBL7590748

CC(=O)N1CCNCC1c1ccccc1.Oc1c(-c2ccccc2)cc2cc1-2

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
USP19 O94966 2/20 0.40
PARP1 P09874 1/20 0.39
DPP4 P27487 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK1 P28482 1/20 0.36
KIF11 P52732 4/20 0.36
MAOB P27338 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
PRKCB P05771 1/20 0.35
PTPN1 P18031 1/20 0.35
RIPK1 Q13546 1/20 0.35
HTR6 P50406 1/20 0.35

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
SCHEMBL7585368 0.88 POLB (0.39) POLBUSP19PARP1DPP4DPP7
SCHEMBL1580100 0.86 POLB (0.54) POLBUSP19PARP1DPP4DPP7
SCHEMBL3338258 0.77 LMNA (0.44) POLBDPP4DPP7MAOB
Tert-Butyl Formate SCHEMBL28018953 0.75 POLB (0.43) POLBUSP19PARP1DPP4DPP7
SCHEMBL7749807 0.75 RIPK1 (0.46) USP19DPP4DPP7MAPK1SLC6A2
SCHEMBL20528485 0.75 DPP4 (0.46) POLBUSP19DPP4DPP7KMT2A
SCHEMBL2935422 0.75 DPP4 (0.46) POLBUSP19DPP4DPP7KMT2A
SCHEMBL21801033 0.75 DPP4 (0.46) POLBUSP19DPP4DPP7KMT2A
Hydrochloric Acid SCHEMBL9258072 0.74 DPP4 (0.46) POLBUSP19DPP4DPP7KMT2A
SCHEMBL19217307 0.74 POLB (0.42) POLBUSP19PARP1DPP4DPP7

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1114596-C Biphenyl derivatives EISAI CO LTD (JP) 2003-07-16 CN claimed
CN-1117966-A Biphenyl derivatives EISAI CO LTD (JP) 1996-03-06 CN claimed
CN-1114596-C Biphenyl derivatives EISAI CO LTD (JP) 2003-07-16 CN disclosed
CN-1412661-A Chinese character name code keyboard input method LU YUSHAN (CN) 2003-04-23 CN disclosed
EP-0675118-B1 Biphenylderivatives, process for their preparation and their use as medicaments EISAI CO LTD (JP) 2002-10-09 EP disclosed
CN-1290700-A Phenyl piperazine derivatives EISAI LTD (JP) 2001-04-11 CN disclosed
CN-1117966-A Biphenyl derivatives EISAI CO LTD (JP) 1996-03-06 CN disclosed