SCHEMBL7528624

SCHEMBL7528624

CC(=O)OCCCc1cccc2c1SCCO2

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 15/20 0.67
MTNR1B P49286 2/20 0.59
SIRT2 Q8IXJ6 1/20 0.35
CTNNB1 P35222 1/20 0.34
WNT3A P56704 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL7526974 0.81 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL7519971 0.80 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL7522473 0.79 MTNR1A (0.64) MTNR1AMTNR1BCTNNB1WNT3A
SCHEMBL7521096 0.79 MTNR1A (0.98) MTNR1AMTNR1B
SCHEMBL7517761 0.78 MTNR1A (1.00) MTNR1AMTNR1BCTNNB1WNT3A
SCHEMBL7520703 0.77 MTNR1A (0.93) MTNR1AMTNR1BCTNNB1WNT3A
SCHEMBL7520556 0.76 MTNR1A (0.61) MTNR1AMTNR1B
SCHEMBL7526198 0.76 MTNR1A (0.61) MTNR1AMTNR1B
SCHEMBL7563666 0.75 MTNR1A (0.78) MTNR1AMTNR1B
SCHEMBL7521018 0.72 MTNR1A (0.56) MTNR1AMTNR1BCTNNB1WNT3A

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