SCHEMBL7560957

SCHEMBL7560957

CCCNC(=O)NCCc1cccc2c1OCCO2

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 17/20 0.74
MTNR1B P49286 5/20 0.48
ROCK2 O75116 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
ROCK1 Q13464 1/20 0.45
NPC1 O15118 1/20 0.41
PAX8 Q06710 1/20 0.41
KLF5 Q13887 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
SCHEMBL1010497 0.85 MTNR1A (1.00) MTNR1AMTNR1BROCK2CYP3A4CYP2D6
SCHEMBL7526968 0.84 MTNR1A (0.73) MTNR1AMTNR1B
SCHEMBL7561873 0.79 MTNR1A (1.00) MTNR1AMTNR1BNPC1
SCHEMBL7520573 0.79 MTNR1A (0.73) MTNR1AMTNR1B
SCHEMBL10244178 0.78 MTNR1A (0.59) MTNR1AROCK2CYP3A4CYP2D6CYP2C9
SCHEMBL7522947 0.77 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL7523147 0.76 MTNR1A (1.00) MTNR1AMTNR1BROCK2CYP3A4CYP2D6
SCHEMBL1011204 0.75 MTNR1A (0.82) MTNR1AMTNR1B
SCHEMBL8736674 0.75 MTNR1A (0.61) MTNR1AROCK2CYP3A4CYP2D6CYP2C9
SCHEMBL7526482 0.74 MTNR1A (0.85) MTNR1AMTNR1BROCK2CYP3A4CYP2D6

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 2 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
EP-0873993-A1 Heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1998-10-28 EP disclosed