SCHEMBL7585368

SCHEMBL7585368

CC(=O)N1CCNCC1c1ccccc1.COc1c(-c2ccccc2)cc2cc1-2

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
USP19 O94966 3/20 0.39
HTR2A P28223 3/20 0.38
HTR2C P28335 3/20 0.38
HTR2B P41595 3/20 0.38
PARP1 P09874 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ROCK2 O75116 2/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
PRKCB P05771 1/20 0.36
DPP4 P27487 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
BACE1 P56817 1/20 0.36
IKBKB O14920 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
SCHEMBL7590748 0.88 POLB (0.42) POLBUSP19PARP1MAOBPRKCB
SCHEMBL1580100 0.83 POLB (0.54) POLBUSP19PARP1DPP4DPP7
SCHEMBL7582099 0.80 OPRD1 (0.36) POLBUSP19HTR2AHTR2CHTR2B
SCHEMBL7581329 0.79 OPRD1 (0.36) POLBUSP19BACE1
SCHEMBL7582641 0.78 POLB (0.41) POLBUSP19
SCHEMBL14833446 0.77 HTR2C (0.47) USP19HTR2AHTR2CHTR2BROCK2
SCHEMBL14833502 0.76 MMP1 (0.44) NPC1RAB9AMAOAMAOB
Tert-Butyl Formate SCHEMBL28018953 0.75 POLB (0.43) POLBUSP19HTR2AHTR2CPARP1
SCHEMBL20528485 0.73 DPP4 (0.46) POLBUSP19HTR2AHTR2CHTR2B
SCHEMBL21801033 0.73 DPP4 (0.46) POLBUSP19HTR2AHTR2CHTR2B

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
EP-0675118-B1 Biphenylderivatives, process for their preparation and their use as medicaments EISAI CO LTD (JP) 2002-10-09 EP 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