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SCHEMBL8668580

SCHEMBL8668580

COC(=O)[C@H](CCSC)N(C(C)=O)N1C(=O)C(NCC(=O)OC(C)(C)C)N=C(c2ccccc2)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 7/20 0.42
▸ CCKBR P32239 6/20 0.41
▸ CCKAR P32238 2/20 0.41
▸ HDAC3 O15379 2/20 0.40
▸ HDAC1 Q13547 2/20 0.40
▸ HDAC8 Q9BY41 2/20 0.40
▸ HDAC6 Q9UBN7 2/20 0.40
▸ FNTA P49354 1/20 0.39
▸ FNTB P49356 1/20 0.39

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
SCHEMBL8668577 0.85 FNTA (0.43) SCN9ACCKBRCCKARHDAC3HDAC1
SCHEMBL8672718 0.83 FNTA (0.46) SCN9ACCKBRCCKARHDAC3HDAC1
SCHEMBL8801155 0.80 FNTA (0.51) SCN9ACCKBRCCKARHDAC3HDAC1
SCHEMBL8674098 0.80 FNTA (0.46) SCN9ACCKBRCCKARHDAC3HDAC1
SCHEMBL8676294 0.76 FNTA (0.48) SCN9ACCKBRCCKARHDAC3HDAC1
SCHEMBL8671362 0.74 FNTA (0.43) SCN9ACCKBRCCKARHDAC3HDAC1
SCHEMBL8669189 0.73 CCKBR (0.58) SCN9ACCKBRCCKARHDAC3HDAC1
SCHEMBL8669257 0.71 FNTA (0.45) CCKBRFNTAFNTB
SCHEMBL8801920 0.70 FNTA (0.51) SCN9ACCKBRCCKARFNTAFNTB
SCHEMBL8674221 0.69 CCKBR (0.51) SCN9ACCKBRCCKAR

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
US-5843941-A Ras farnesyl transferase inhibitors GENENTECH, INC. (US) 1998-12-01 — — US disclosed