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SCHEMBL4582653

SCHEMBL4582653

CC[C@H](C)[C@H](N)C(=O)N1C[C@@H](O)[C@H](c2ccc(OCCCOCc3ccccc3OC)cc2)[C@@H](OCc2ccc3c(c2)N(CCCOC)CC3(C)C)C1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 20/20 0.42
▸ CYP3A4 P08684 5/20 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
SCHEMBL4583037 0.95 REN (0.43) RENCYP3A4
SCHEMBL4611058 0.95 REN (0.43) RENCYP3A4
SCHEMBL4610122 0.94 REN (0.44) RENCYP3A4
SCHEMBL4584761 0.94 REN (0.44) RENCYP3A4
SCHEMBL4583262 0.92 REN (0.42) RENCYP3A4
SCHEMBL4031262 0.90 REN (0.46) RENCYP3A4
SCHEMBL4584103 0.87 REN (0.43) RENCYP3A4
SCHEMBL4583864 0.87 REN (0.42) RENCYP3A4
SCHEMBL4592772 0.87 REN (0.47) REN
SCHEMBL4592766 0.87 REN (0.47) REN

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-1908762-A2 Organic compounds Speedel Experimenta AG (CH) 2008-04-09 — — EP disclosed
EP-1908761-A1 Organic compounds Speedel Experimenta AG (CH) 2008-04-09 — — EP disclosed