SCHEMBL7524073

SCHEMBL7524073

CC(=O)NCCOc1cccc2c1SCCC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.52
ADRA2A P08913 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A4 P31645 1/20 0.52
MTNR1A P48039 9/20 0.51
MTNR1B P49286 4/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TIPARP Q7Z3E1 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
USP2 O75604 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KMT2A Q03164 1/20 0.39
DRD2 P14416 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
SCHEMBL9120347 0.80 HTR1A (0.66) HTR1AADRA2ASLC6A2SLC6A4KDM4E
SCHEMBL9122214 0.80 HTR1A (0.50) HTR1AADRA2ASLC6A2SLC6A4KMT2A
SCHEMBL9123531 0.79 HTR1A (0.49) HTR1AADRA2ASLC6A2SLC6A4ALDH1A1
SCHEMBL9123010 0.76 HTR1A (0.47) HTR1AADRA2ASLC6A2SLC6A4L3MBTL1
SCHEMBL8317904 0.76 HTR1A (0.51) HTR1AADRA2ASLC6A2SLC6A4ALDH1A1
SCHEMBL7524469 0.76 HTR1A (0.51) HTR1AADRA2ASLC6A2SLC6A4KDM4E
SCHEMBL7524020 0.76 HTR1A (0.51) HTR1AADRA2ASLC6A2SLC6A4ALDH1A1
SCHEMBL7522499 0.76 MTNR1A (0.68) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL8370296 0.76 HTR1A (0.47) HTR1AADRA2ASLC6A2SLC6A4KDM4E
SCHEMBL8372598 0.75 HTR1A (0.50) HTR1AADRA2ASLC6A2SLC6A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0873993-B1 Heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2002-02-20 EP disclosed
US-5919814-A Heterocyclic compounds ADIR ET COMPAGNIE (FR) 1999-07-06 US disclosed
EP-0873993-A1 Heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1998-10-28 EP disclosed