SCHEMBL7518458

SCHEMBL7518458

O=C(Cc1ccccc1)NCCOc1cccc2c1OCCO2

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.69
HTR1A P08908 4/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
MTNR1B P49286 1/20 0.43
ADRA1A P35348 2/20 0.42
DRD2 P14416 1/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
CTNNB1 P35222 1/20 0.42
WNT3A P56704 1/20 0.42
ATM Q13315 1/20 0.42
SLC6A4 P31645 1/20 0.42
CXCR2 P25025 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL7523679 0.82 MTNR1A (1.00) MTNR1AHTR1ANPC1RAB9AHPGD
SCHEMBL6174872 0.79 HTR1A (0.65) MTNR1AHTR1ADRD2KDM4ESLC6A4
SCHEMBL7561873 0.79 MTNR1A (1.00) MTNR1AHTR1ANPC1RAB9AMTNR1B
SCHEMBL3648434 0.79 CTNNB1 (0.47) MTNR1ANPC1RAB9AGAAHPGD
SCHEMBL7526209 0.79 MTNR1A (0.72) MTNR1AHTR1ANPC1RAB9AADRA1A
SCHEMBL7519527 0.78 MTNR1A (1.00) MTNR1AHTR1ANPC1RAB9AHPGD
SCHEMBL7526194 0.78 MTNR1A (0.68) MTNR1ARAB9AGAAHPGDMTNR1B
SCHEMBL11204329 0.77 ADRB2 (0.46) MTNR1AALDH1A1
SCHEMBL7521758 0.75 MTNR1A (1.00) MTNR1AHTR1ANPC1RAB9AHPGD
SCHEMBL5926589 0.74 MTNR1A (0.69) MTNR1AHTR1AMTNR1BADRA1ADRD2

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