SCHEMBL7864722

SCHEMBL7864722

CC(CCCC=O)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SIGMAR1 Q99720 3/20 0.42
SLC6A2 P23975 2/20 0.42
MAOA P21397 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
CYP2A6 P11509 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
EPHX1 P07099 1/20 0.42
SLC18A2 Q05940 1/20 0.40
CYP2D6 P10635 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TRPA1 O75762 1/20 0.39
CTSK P43235 2/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39

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
SCHEMBL7925119 0.89 TAAR1 (0.50) TAAR1MEN1KMT2ASIGMAR1SLC6A2
SCHEMBL9542372 0.79 EPHX1 (0.55) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL6824286 0.77 CSNK1E (0.49) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL28296318 0.77 SIGMAR1 (0.48) TAAR1MEN1KMT2ASIGMAR1SLC6A2
SCHEMBL7354997 0.77 TAAR1 (0.53) TAAR1MEN1KMT2ASIGMAR1SLC6A2
SCHEMBL25209356 0.77 TAAR1 (0.53) TAAR1MEN1KMT2ASIGMAR1SLC6A2
SCHEMBL6286870 0.77 SIGMAR1 (0.55) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL7937685 0.77 TRPA1 (0.53) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL17120347 0.76 TRPA1 (0.53) TAAR1MEN1KMT2ASIGMAR1SLC6A2
SCHEMBL19628486 0.76 TAAR1 (0.52) TAAR1SIGMAR1SLC6A2MAOASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6313095-B1 HERPES VIRAL RIBONUCLEOTIDE REDUCTASE INHIBITORS BOEHRINGER INGELHEIM (CANADA), LTD. (CA) 2001-11-06 US disclosed
US-5830864-A RIBONUCLEOTIDE REDUCTASE INHIBITOR BOEHRINGER INGELHEIM (CANADA), LTD. (CA) 1998-11-03 US disclosed
EP-0560274-B1 Antiherpes peptide derivatives having a ureido N-terminus BOEHRINGER INGELHEIM CA LTD (CA) 1998-06-24 EP disclosed
US-5700780-A OLIGOPEPTIDE VIRICIDES; RIBONUCLEOTIDE REDUCTASE ENZYME INHIBITOR BOEHRINGER INGELHEIM (CANADA), LTD. (CA) 1997-12-23 US disclosed
US-5648337-A Antiherpes pentapeptides BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1997-07-15 US disclosed
EP-0408973-B1 Antiherpes pentapeptides BIO MEGA BOEHRINGER INGELHEIM (CA) 1996-10-23 EP disclosed
US-5552384-A Antiherpes compositions and method of use BIO-MEGA BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1996-09-03 US disclosed
US-5502036-A VIRICIDES BIOMEGA BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1996-03-26 US disclosed
US-5484771-A RIBONUCLEOTIDE REDUCTASE INHIBITORS BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1996-01-16 US disclosed
EP-0411332-B1 Antiviral peptides having a 2-oxoalkyl amino acid side chain BIO MEGA BOEHRINGER INGELHEIM (CA) 1995-12-06 EP disclosed
EP-0411333-B1 Antiherpes tetrapeptide derivatives having a substituted aspartic acid side chain BIO MEGA BOEHRINGER INGELHEIM (CA) 1995-05-31 EP disclosed
EP-0461546-B1 Antiherpes peptide derivatives having a 1,4-dioxo-C4 N-terminus BIO MEGA BOEHRINGER INGELHEIM (CA) 1995-03-22 EP disclosed
EP-0411334-B1 Antiherpes pentapeptide derivatives having a substituted aspartic acid side chain BIO MEGA BOEHRINGER INGELHEIM (CA) 1995-02-22 EP disclosed
EP-0560274-A1 Antiherpes peptide derivatives having a ureido N-terminus BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1993-09-15 EP disclosed
EP-0493770-A2 Antiherpes compositions BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1992-07-08 EP disclosed
EP-0461546-A2 Antiherpes peptide derivatives having a 1,4-dioxo-C4 N-terminus BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1991-12-18 EP disclosed
EP-0411333-A1 Antiherpes tetrapeptide derivatives having a substituted aspartic acid side chain BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1991-02-06 EP disclosed
EP-0411334-A1 Antiherpes pentapeptide derivatives having a substituted aspartic acid side chain BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1991-02-06 EP disclosed
EP-0408973-A1 Antiherpes pentapeptides BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1991-01-23 EP disclosed