SCHEMBL7523679

SCHEMBL7523679

CC(=O)NCCOc1cccc2c1OCCO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 12/20 1.00
MTNR1B P49286 4/20 0.55
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
CTNNB1 P35222 1/20 0.49
WNT3A P56704 1/20 0.49
HTR1A P08908 3/20 0.46
DRD2 P14416 1/20 0.46
ADRA1A P35348 1/20 0.46
SLC6A4 P31645 1/20 0.45

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
SCHEMBL7519527 0.96 MTNR1A (1.00) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL7521758 0.92 MTNR1A (1.00) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL7561873 0.86 MTNR1A (1.00) MTNR1AMTNR1BKDM4ENPC1RAB9A
SCHEMBL7526209 0.84 MTNR1A (0.72) MTNR1AALDH1A1NPC1RAB9AHTR1A
SCHEMBL7527287 0.83 MTNR1A (0.77) MTNR1AMTNR1BNPC1RAB9ACTNNB1
SCHEMBL5926589 0.82 MTNR1A (0.69) MTNR1AMTNR1BCTNNB1WNT3AHTR1A
SCHEMBL7518458 0.82 MTNR1A (0.69) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL7522499 0.81 MTNR1A (0.68) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL8114251 0.79 MTNR1A (0.64) MTNR1AALDH1A1HPGDNPC1RAB9A
SCHEMBL6174714 0.78 MTNR1A (0.71) MTNR1AMTNR1BHTR1ADRD2ADRA1A

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