SCHEMBL5788869

SCHEMBL5788869

c1ccc(COCN2CCNCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.59
SLC6A2 P23975 3/20 0.50
SLC6A4 P31645 3/20 0.50
HTR1A P08908 2/20 0.50
SLC6A3 Q01959 2/20 0.50
TSHR P16473 2/20 0.48
LTA4H P09960 2/20 0.48
TACR1 P25103 2/20 0.47
HTR6 P50406 1/20 0.44
EGFR P00533 1/20 0.44
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
HIF1A Q16665 1/20 0.42
CXCR4 P61073 1/20 0.42

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
Fumaric Acid SCHEMBL6957258 0.88 HCAR2 (0.48) SIGMAR1SLC6A2SLC6A4HTR1ASLC6A3
Fumaric Acid SCHEMBL6957253 0.88 HCAR2 (0.48) SIGMAR1SLC6A2SLC6A4HTR1ASLC6A3
SCHEMBL30128338 0.83 LTA4H (0.56) SIGMAR1SLC6A3TSHRLTA4H
SCHEMBL4663018 0.83 LTA4H (0.60) SIGMAR1SLC6A3TSHRLTA4H
SCHEMBL6121049 0.83 LTA4H (0.65) SIGMAR1SLC6A2SLC6A4HTR1ASLC6A3
SCHEMBL7301909 0.81 LMNA (0.59) SIGMAR1SLC6A3TSHRLTA4H
SCHEMBL8243447 0.80 LTA4H (0.61) SIGMAR1SLC6A2SLC6A4HTR1ASLC6A3
SCHEMBL28565386 0.80 SIGMAR1 (0.64) SIGMAR1SLC6A2SLC6A4SLC6A3LTA4H
SCHEMBL4438692 0.79 POLB (0.53) SIGMAR1TSHRLTA4HEGFRMEN1
SCHEMBL30997860 0.77 LTA4H (0.57) SIGMAR1SLC6A2SLC6A4HTR1ASLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104046246-A Chemical Mechanical Planarization for Tungsten-Containing Substrates AIR PROD & CHEM 2014-09-17 CN disclosed
EP-1643998-A1 DUAL NK1/NK3 ANTAGONISTS FOR TREATING SCHIZOPHRENIA F. HOFFMANN-LA ROCHE AG (CH) 2006-04-12 EP disclosed
WO-2005002577-A1 DUAL NK1/NK3 ANTAGONISTS FOR TREATING SCHIZOPHRENIA F. HOFFMANN-LA ROCHE AG (CH) 2005-01-13 WO disclosed
CN-1365359-A Benzofurylpiperazines and benzofurylhomopiperazines: serotonin agonists LILLY CO ELI (US) 2002-08-21 CN disclosed
EP-1204654-A1 BENZOFURYLPIPERAZINES AND BENZOFURYLHOMOPIPERAZINES: SEROTONIN AGONISTS ELI LILLY AND COMPANY (US) 2002-05-15 EP disclosed
WO-2001009111-A1 BENZOFURYLPIPERAZINES AND BENZOFURYLHOMOPIPERAZINES: SEROTONIN AGONISTS ELI LILLY AND COMPANY (US) 2001-02-08 WO disclosed