SCHEMBL7522246

SCHEMBL7522246

BrCCCCOc1cccc2c1OCCO2

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.60
HTR1A P08908 12/20 0.43
SLC6A4 P31645 6/20 0.43
CXCR2 P25025 1/20 0.42
ADRA1A P35348 2/20 0.41
DRD2 P14416 1/20 0.41
CTNNB1 P35222 1/20 0.40
WNT3A P56704 1/20 0.40
MTNR1B P49286 1/20 0.38

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
SCHEMBL6597071 0.95 MTNR1A (0.59) MTNR1AHTR1ASLC6A4CXCR2ADRA1A
SCHEMBL962394 0.90 MTNR1A (0.58) MTNR1AHTR1ASLC6A4CXCR2ADRA1A
SCHEMBL7531535 0.84 MTNR1A (0.60) MTNR1AHTR1ASLC6A4CXCR2CTNNB1
SCHEMBL8584312 0.84 MTNR1A (0.60) MTNR1AHTR1ASLC6A4CXCR2ADRA1A
SCHEMBL5871763 0.83 MTNR1A (0.46) MTNR1AHTR1ASLC6A4ADRA1A
SCHEMBL6173819 0.83 MTNR1A (0.59) MTNR1AHTR1ASLC6A4CXCR2CTNNB1
SCHEMBL13534264 0.83 MTNR1A (0.64) MTNR1AHTR1ASLC6A4CTNNB1WNT3A
SCHEMBL13202088 0.81 MTNR1A (0.65) MTNR1AHTR1ASLC6A4CXCR2CTNNB1
SCHEMBL8667866 0.81 MTNR1A (0.58) MTNR1AHTR1ASLC6A4CXCR2ADRA1A
SCHEMBL7481895 0.81 MTNR1A (0.58) MTNR1AHTR1ASLC6A4CXCR2CTNNB1

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