SCHEMBL29548481

SCHEMBL29548481

CC(C)(C)OC(=O)N1CC2(CCC(c3cnn4ccc(O)c(Br)c34)CC2)C1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SPR P35270 4/20 0.37
▸ RET P07949 4/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ ACACB O00763 3/20 0.35
▸ RORC P51449 2/20 0.35
▸ SCD5 Q86SK9 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ GPR183 P32249 1/20 0.34
▸ POLB P06746 1/20 0.34

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
SCHEMBL29548391 0.89 SPR (0.40) SPRRETCYP11B2ACACBSCD5
SCHEMBL29548473 0.89 SPR (0.37) SPRRETCYP11B2ACACBSCD5
SCHEMBL29548733 0.86 RET (0.41) SPRRET
SCHEMBL29548305 0.80 SPR (0.40) SPRRETCYP11B2ACACBSCD5
SCHEMBL29548514 0.75 GPR119 (0.44) SPRRETCYP11B2ACACBSCD5
SCHEMBL29548575 0.73 GPR119 (0.37) SPRRORCMEN1KMT2A
SCHEMBL29548540 0.72 RET (0.39) SPRRETSCD5
SCHEMBL26631332 0.70 HDAC2 (0.40) SPRACACBSCD5MEN1KMT2A
SCHEMBL29426949 0.69 HDAC2 (0.39) ACACBRORCSCD5GPR183
SCHEMBL29024527 0.69 HDAC2 (0.39) ACACBRORCSCD5GPR183

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-2022070288-A1 NITROGEN-CONTAINING BICYCLIC COMPOUND 旭化成ファーマ株式会社 2022-04-07 — — WO disclosed
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