SCHEMBL7526482

SCHEMBL7526482

CNC(=O)CCc1cccc2c1OCCO2

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 15/20 0.85
CTNNB1 P35222 2/20 0.47
WNT3A P56704 2/20 0.47
ROCK2 O75116 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
ROCK1 Q13464 1/20 0.44
MTNR1B P49286 3/20 0.44
MAP3K7 O43318 1/20 0.42
TAB1 Q15750 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 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
SCHEMBL7520035 0.92 MTNR1A (1.00) MTNR1ACTNNB1WNT3AROCK2CYP3A4
SCHEMBL7524387 0.91 MTNR1A (1.00) MTNR1ACTNNB1WNT3AROCK2CYP3A4
SCHEMBL7519028 0.84 MTNR1A (0.65) MTNR1ACTNNB1WNT3AROCK2CYP3A4
SCHEMBL3430852 0.82 MTNR1A (0.62) MTNR1ACTNNB1WNT3AROCK2CYP3A4
SCHEMBL7517873 0.79 MTNR1A (1.00) MTNR1ACTNNB1WNT3AMTNR1B
SCHEMBL7523790 0.79 MTNR1A (0.86) MTNR1ACTNNB1WNT3AMTNR1B
SCHEMBL8481900 0.78 MTNR1A (0.57) MTNR1ACTNNB1WNT3AMTNR1B
SCHEMBL1010497 0.77 MTNR1A (1.00) MTNR1AROCK2CYP3A4CYP2D6CYP2C9
SCHEMBL7526968 0.77 MTNR1A (0.73) MTNR1AMTNR1B
SCHEMBL7520573 0.77 MTNR1A (0.73) 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 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