SCHEMBL7519010

SCHEMBL7519010

BrCCOc1cccc2c1OCCC2

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.38
SLC6A4 P31645 4/20 0.38
DRD2 P14416 2/20 0.37
HTR2A P28223 2/20 0.37
MTNR1A P48039 4/20 0.36

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
SCHEMBL31561756 0.91 SLC6A4 (0.43) HTR1ASLC6A4HTR2AMTNR1A
SCHEMBL7524518 0.85 KDM4E (0.44) HTR1ASLC6A4DRD2HTR2AMTNR1A
SCHEMBL962394 0.76 MTNR1A (0.58) HTR1ASLC6A4DRD2MTNR1A
SCHEMBL7522499 0.76 MTNR1A (0.68) MTNR1A
SCHEMBL9091731 0.76 ALDH1A1 (0.43) HTR1ASLC6A4DRD2MTNR1A
SCHEMBL7516624 0.76 ACHE (0.43) DRD2HTR2A
SCHEMBL30465990 0.76 ACHE (0.43) DRD2HTR2A
SCHEMBL8372376 0.75 HTR2A (0.32) HTR1ADRD2HTR2A
SCHEMBL9093284 0.75 GRIN2B (0.43) HTR1ASLC6A4DRD2MTNR1A
SCHEMBL4191964 0.75 KDM4E (0.47) HTR1ASLC6A4HTR2AMTNR1A

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