Sugi Predict

Sugi Predict / Compounds / SCHEMBL14219032

SCHEMBL14219032

SCHEMBL14219032

COc1ccccc1COCCCOc1ccc([C@@H]2[C@@H](OCCOc3ccccc3CCNC(C)=O)CN(C(=O)C(N)C(C)C)C[C@H]2OC(=O)[C@@H](N)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 0.39
▸ MTNR1A P48039 1/20 0.38
▸ MTNR1B P49286 1/20 0.38

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
SCHEMBL8469293 1.00 REN (0.42) RENCYP3A4MTNR1AMTNR1B
SCHEMBL4583827 0.92 REN (0.43) RENCYP3A4MTNR1AMTNR1B
SCHEMBL4583818 0.92 REN (0.43) RENCYP3A4MTNR1AMTNR1B
SCHEMBL8469001 0.90 REN (0.48) RENCYP3A4MTNR1AMTNR1B
SCHEMBL4593223 0.87 REN (0.43) RENCYP3A4MTNR1AMTNR1B
SCHEMBL4593222 0.87 REN (0.43) RENCYP3A4MTNR1AMTNR1B
SCHEMBL4593225 0.87 REN (0.43) RENCYP3A4MTNR1AMTNR1B
SCHEMBL4584221 0.87 REN (0.41) RENCYP3A4MTNR1AMTNR1B
SCHEMBL4582103 0.85 REN (0.41) RENCYP3A4MTNR1AMTNR1B
SCHEMBL4582108 0.85 REN (0.41) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1908761-A1 Organic compounds Speedel Experimenta AG (CH) 2008-04-09 — — EP disclosed