SCHEMBL8570983

SCHEMBL8570983

O=C(O)Cc1cccc2ccc(OC3CCCCC3)cc12

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 11/20 0.65
TDP1 Q9NUW8 1/20 0.49
MTNR1B P49286 6/20 0.48
MAOB P27338 2/20 0.46
FFAR4 Q5NUL3 1/20 0.43
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
ABL1 P00519 1/20 0.42
F2 P00734 1/20 0.42
PLG P00747 1/20 0.42
PLAU P00749 1/20 0.42
PLAT P00750 1/20 0.42
KLKB1 P03952 1/20 0.42
PRSS1 P07477 1/20 0.42
MAOA P21397 1/20 0.41
HRH1 P35367 1/20 0.41
CCR3 P51677 1/20 0.41
KCNH2 Q12809 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
SCHEMBL27473460 0.80 MTNR1A (0.65) MTNR1AMTNR1B
SCHEMBL8570951 0.79 MTNR1A (0.62) MTNR1ATDP1MTNR1BKCNH2
SCHEMBL8858486 0.78 MTNR1A (0.79) MTNR1AMTNR1B
SCHEMBL8858577 0.78 MTNR1A (0.77) MTNR1AMTNR1B
SCHEMBL8037757 0.78 MTNR1A (0.62) MTNR1AMTNR1B
SCHEMBL30692247 0.77 MTNR1A (0.64) MTNR1ATDP1MTNR1B
SCHEMBL3914252 0.77 MTNR1A (0.64) MTNR1ATDP1MTNR1B
SCHEMBL9127163 0.77 MTNR1A (0.79) MTNR1AMTNR1B
SCHEMBL4749622 0.76 MTNR1A (0.63) MTNR1ATDP1MTNR1B
SCHEMBL27358867 0.75 MTNR1A (0.59) MTNR1AMTNR1BMAOBABL1F2

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
US-5760071-A AN UREA OR THIOUREA COMPOUNDS FOR TREATING MELATONINERGIC SYSTEM DISORDER, SLEEP DISORDER ADIR ET COMPAGNIE (FR) 1998-06-02 US disclosed
US-5731352-A THERAPY FOR DISORDERS OF THE MELATONINERGIC SYSTEM ADIR ET COMPAGNIE (FR) 1998-03-24 US disclosed