SCHEMBL23553504

SCHEMBL23553504

CC(C)(C#N)c1ccc(C(=O)N2CCC(N3CCc4ccccc4C3)CC2)cn1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 14/20 0.60
▸ HPGD P15428 1/20 0.45
▸ L3MBTL3 Q96JM7 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.43
▸ HSP90AB1 P08238 1/20 0.43

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
SCHEMBL34433487 0.87 PRMT5 (0.49) ADRA1AHPGDHSP90AA1HSP90AB1
SCHEMBL34433490 0.87 PRMT5 (0.49) ADRA1AHPGDHSP90AA1HSP90AB1
SCHEMBL23553503 0.87 PRMT5 (0.49) ADRA1AHPGDHSP90AA1HSP90AB1
SCHEMBL23553502 0.87 PRMT5 (0.49) ADRA1AHPGDHSP90AA1HSP90AB1
SCHEMBL16846303 0.80 ADRA1A (0.68) ADRA1AHPGDL3MBTL3L3MBTL1
SCHEMBL16846280 0.75 ADRA1A (1.00) ADRA1AHPGD
SCHEMBL22418711 0.75 ADRA1A (0.61) ADRA1AL3MBTL3L3MBTL1
SCHEMBL30823775 0.75 ADRA1A (0.61) ADRA1AL3MBTL3L3MBTL1
SCHEMBL16846245 0.75 ADRA1A (1.00) ADRA1A
SCHEMBL16846289 0.74 ADRA1A (1.00) ADRA1AHPGD

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-2021126728-A1 PRMT5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-06-24 — — WO disclosed
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