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SCHEMBL6171664

SCHEMBL6171664

CCCN(CCCCN1CCCCCC1=O)C(C)Cc1ccc(OS(=O)(=O)c2sccc2S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SOAT2 O75908 2/20 0.36
▸ SOAT1 P35610 2/20 0.36
▸ ADAMTS5 Q9UNA0 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CD274 Q9NZQ7 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 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
SCHEMBL4870299 0.89 SOAT2 (0.40) SOAT2SOAT1ADAMTS5MEN1KMT2A
SCHEMBL4872333 0.86 SOAT2 (0.37) SOAT2SOAT1ADAMTS5MEN1KMT2A
SCHEMBL4872338 0.82 SOAT2 (0.37) SOAT2SOAT1MEN1KMT2ACD274
SCHEMBL4875897 0.82 SOAT2 (0.38) SOAT2SOAT1ADAMTS5MEN1KMT2A
SCHEMBL4873141 0.82 CYP1A1 (0.41) MEN1KMT2APKM
SCHEMBL4872667 0.82 CYP1A1 (0.35) SOAT2SOAT1MEN1KMT2A
SCHEMBL4870498 0.82 SOAT2 (0.41) SOAT2SOAT1ADAMTS5MEN1KMT2A
SCHEMBL4870265 0.81 P2RX7 (0.38) SOAT2SOAT1
SCHEMBL4871325 0.81 KMT2A (0.38) SOAT2SOAT1MEN1KMT2ACD274
SCHEMBL4873593 0.81 ADAMTS5 (0.40) SOAT2SOAT1ADAMTS5MEN1KMT2A

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-1289965-B1 SUBSTITUTED 1-AMINOALKYL-LACTAMS AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-10-26 — — EP disclosed