SCHEMBL21569827

SCHEMBL21569827

CN(C(=O)C1CCCC2(C)c3cc(N)ccc3CCC12)C(=O)C1CCCC2(C)c3cc(NC(=O)CNN)ccc3CCC12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 5/20 0.34
▸ NR1H3 Q13133 5/20 0.34
▸ MCHR1 Q99705 2/20 0.34
▸ POLA1 P09884 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ BACE1 P56817 1/20 0.32
▸ BACE2 Q9Y5Z0 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ KARS1 Q15046 1/20 0.31
▸ OPRD1 P41143 1/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31

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
SCHEMBL29295648 0.92 NR1H2 (0.35) NR1H2NR1H3MCHR1POLA1SMN1; SMN2
SCHEMBL29295655 0.92 RAB9A (0.37) NR1H2NR1H3MCHR1POLA1SMN1; SMN2
SCHEMBL29292374 0.92 RAB9A (0.37) NR1H2NR1H3MCHR1POLA1SMN1; SMN2
SCHEMBL29292376 0.87 NR1H2 (0.38) NR1H2NR1H3POLA1CYP3A4CYP2C19
SCHEMBL29296723 0.84 NR1H2 (0.43) NR1H2NR1H3POLA1
SCHEMBL29292359 0.84 NR1H2 (0.43) NR1H2NR1H3POLA1
SCHEMBL29297676 0.82 NR1H2 (0.38) NR1H2NR1H3POLA1LMNA
SCHEMBL29292400 0.82 NR1H2 (0.46) NR1H2NR1H3POLA1RAB9AOPRD1
SCHEMBL29292394 0.81 NR1H2 (0.36) NR1H2NR1H3MCHR1POLA1SMN1; SMN2
SCHEMBL21569924 0.80 NR1H2 (0.33) NR1H2NR1H3POLA1SMN1; SMN2NPC1

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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