SCHEMBL7524518

SCHEMBL7524518

NCCOc1cccc2c1OCCC2

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
HTR1B P28222 1/20 0.41
HTR1A P08908 4/20 0.38
SLC6A4 P31645 3/20 0.38
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
MTNR1A P48039 4/20 0.36
PARP1 P09874 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DRD2 P14416 1/20 0.35
HTR2A P28223 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
SCHEMBL4191964 0.91 KDM4E (0.47) KDM4EHTR1BHTR1ASLC6A4TP53
SCHEMBL7519010 0.85 HTR1A (0.38) HTR1ASLC6A4MTNR1ADRD2HTR2A
SCHEMBL7479640 0.77 HTR1A (0.50) HTR1ASLC6A4PARP1
SCHEMBL7481895 0.76 MTNR1A (0.58) KDM4EHTR1BHTR1ASLC6A4TP53
SCHEMBL9091731 0.76 ALDH1A1 (0.43) KDM4EHTR1ASLC6A4MTNR1ADRD2
SCHEMBL7522499 0.76 MTNR1A (0.68) KDM4ERAB9AMTNR1AHPGD
SCHEMBL7516624 0.76 ACHE (0.43) KDM4EPARP1HPGDDRD2HTR2A
SCHEMBL30465990 0.76 ACHE (0.43) KDM4EPARP1HPGDDRD2HTR2A
SCHEMBL9093284 0.75 GRIN2B (0.43) KDM4EHTR1ASLC6A4MTNR1ADRD2
SCHEMBL31561756 0.75 SLC6A4 (0.43) HTR1ASLC6A4RAB9AMTNR1APARP1

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