SCHEMBL3944733

SCHEMBL3944733

COc1ccccc1COCCCOc1ccc([C@@H]2[C@@H](OCCOc3ccccc3CCNC(C)=O)CN(C(=O)O)C[C@H]2O[Si](C(C)C)(C(C)C)C(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
REN P00797 17/20 0.42
CYP3A4 P08684 1/20 0.40
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40

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
SCHEMBL1037868 0.93 REN (0.41) RENCYP3A4MTNR1AMTNR1B
SCHEMBL3950404 0.89 REN (0.45) RENCYP3A4MTNR1AMTNR1B
SCHEMBL1037869 0.88 REN (0.41) RENCYP3A4MTNR1AMTNR1B
SCHEMBL4531102 0.87 REN (0.46) REN
SCHEMBL3072693 0.86 REN (0.51) RENCYP3A4MTNR1AMTNR1B
SCHEMBL3948391 0.84 REN (0.44) REN
SCHEMBL4593222 0.83 REN (0.43) RENCYP3A4MTNR1AMTNR1B
SCHEMBL1039331 0.83 REN (0.41) REN
SCHEMBL4593223 0.83 REN (0.43) RENCYP3A4MTNR1AMTNR1B
SCHEMBL4593225 0.83 REN (0.43) RENCYP3A4MTNR1AMTNR1B

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-2049514-A1 NITRATE ESTERS OF PIPERIDINES Speedel Experimenta AG (CH) 2009-04-22 EP disclosed
WO-2008017685-A1 NITRATE ESTERS OF PIPERIDINES SPEEDEL EXPERIMENTA AG (CH) 2008-02-14 WO disclosed