SCHEMBL7520703

SCHEMBL7520703

CNC(=O)CCCCc1cccc2c1SCCO2

nearest known ligand 0.93

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 14/20 0.93
MTNR1B P49286 2/20 0.71
TBXAS1 P24557 1/20 0.37
NAMPT P43490 1/20 0.36
HDAC1 Q13547 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC3 O15379 1/20 0.34
HDAC2 Q92769 1/20 0.34
CTNNB1 P35222 1/20 0.34
WNT3A P56704 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
SCHEMBL7517761 0.96 MTNR1A (1.00) MTNR1AMTNR1BNAMPTCTNNB1WNT3A
SCHEMBL7523790 0.91 MTNR1A (0.86) MTNR1AMTNR1BCTNNB1WNT3A
SCHEMBL7519112 0.85 MTNR1A (0.83) MTNR1AMTNR1B
SCHEMBL7518813 0.83 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL8476411 0.81 MTNR1A (0.73) MTNR1AMTNR1BHDAC1HDAC6HDAC3
SCHEMBL7519971 0.81 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL7524387 0.80 MTNR1A (1.00) MTNR1AMTNR1BCTNNB1WNT3A
SCHEMBL7521096 0.80 MTNR1A (0.98) MTNR1AMTNR1BNAMPT
SCHEMBL7527250 0.80 MTNR1A (0.72) MTNR1AMTNR1B
SCHEMBL7526974 0.80 MTNR1A (1.00) MTNR1AMTNR1B

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 4 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
CN-1197797-A New heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1998-11-04 CN disclosed
EP-0873993-A1 Heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1998-10-28 EP disclosed