SCHEMBL21569998

SCHEMBL21569998

CN(CC(=O)[C@@]1(C)CCCC2(C)c3cc(NC(=O)CN)ccc3CCC21)C(=O)C1CCCC2(C)c3cc(N)ccc3CCC12

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 14/20 0.45
▸ NR1H3 Q13133 14/20 0.45
▸ POLA1 P09884 4/20 0.39
▸ LMNA P02545 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ PDE4D Q08499 1/20 0.37

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 0.90 NR1H2 (0.43) NR1H2NR1H3POLA1PDE4D
SCHEMBL29295648 0.86 NR1H2 (0.35) NR1H2NR1H3POLA1LMNACYP3A4
SCHEMBL29295646 0.85 NR1H2 (0.50) NR1H2NR1H3POLA1PDE4D
SCHEMBL29296723 0.84 NR1H2 (0.43) NR1H2NR1H3POLA1PDE4D
SCHEMBL29295337 0.83 NR1H2 (0.49) NR1H2NR1H3POLA1PDE4D
SCHEMBL29292380 0.81 NR1H2 (0.42) NR1H2NR1H3POLA1PDE4D
SCHEMBL29295347 0.81 NR1H2 (0.61) NR1H2NR1H3POLA1
SCHEMBL21552202 0.81 NR1H2 (0.61) NR1H2NR1H3POLA1
SCHEMBL29295655 0.79 RAB9A (0.37) NR1H2NR1H3POLA1CYP3A4
SCHEMBL29292374 0.79 RAB9A (0.37) NR1H2NR1H3POLA1CYP3A4

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
WO-2019217591-A1 ANTI-MSR1 ANTIBODIES AND METHODS OF USE THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2019-11-14 — — WO disclosed
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