SCHEMBL29296723

SCHEMBL29296723

CCC(=O)Nc1ccc2c(c1)C1(C)CCC[C@](C)(C(=O)N(C)C(=O)C3CCCC4(C)c5cc(N)ccc5CCC34)C1CC2

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 15/20 0.43
▸ NR1H3 Q13133 15/20 0.43
▸ POLA1 P09884 4/20 0.41
▸ PDE4D Q08499 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
SCHEMBL29292359 0.94 NR1H2 (0.43) NR1H2NR1H3POLA1PDE4D
SCHEMBL29295655 0.91 RAB9A (0.37) NR1H2NR1H3POLA1
SCHEMBL29292374 0.91 RAB9A (0.37) NR1H2NR1H3POLA1
SCHEMBL29295648 0.84 NR1H2 (0.35) NR1H2NR1H3POLA1
SCHEMBL29295337 0.84 NR1H2 (0.49) NR1H2NR1H3POLA1PDE4D
SCHEMBL29292380 0.84 NR1H2 (0.42) NR1H2NR1H3POLA1PDE4D
SCHEMBL21569998 0.84 NR1H2 (0.45) NR1H2NR1H3POLA1PDE4D
SCHEMBL21569827 0.84 NR1H2 (0.34) NR1H2NR1H3POLA1
SCHEMBL29295138 0.83 NR1H2 (0.42) NR1H2NR1H3POLA1PDE4D
SCHEMBL24591813 0.83 NR1H2 (0.61) NR1H2NR1H3POLA1

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-3883926-B1 BIS-OCTAHYDROPHENANTHRENE CARBOXAMIDE DERIVATIVES AND PROTEIN CONJUGATES THEREOF FOR USE AS LXR AGONISTS REGENERON PHARMA (US) 2024-07-10 — — EP disclosed
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