SCHEMBL6560716

SCHEMBL6560716

CC(=O)NC(C)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[C@H]1N

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.35
▸ KMT2A Q03164 1/20 0.32
▸ BTK Q06187 1/20 0.31
▸ ACACB O00763 1/20 0.31
▸ MMP2 P08253 1/20 0.31
▸ ANPEP P15144 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
SCHEMBL14751337 0.74 CA1 (0.44) KMT2ABTK
SCHEMBL31368028 0.72 MAPK1 (0.37) HRH3BTK
Hydrochloric Acid SCHEMBL31368151 0.71 MAPK1 (0.36) HRH3BTK
SCHEMBL5722453 0.70 KMT2A (0.32) HRH3KMT2ABTK
SCHEMBL17883906 0.69 HRH3 (0.39) HRH3KMT2ABTKMMP2ANPEP
SCHEMBL17883938 0.69 HRH3 (0.39) HRH3KMT2ABTKMMP2ANPEP
SCHEMBL3405894 0.69 HRH3 (0.39) HRH3KMT2ABTKMMP2ANPEP
SCHEMBL7234338 0.69 GAA (0.34) —
SCHEMBL1298062 0.69 HRH3 (0.43) HRH3KMT2ABTK
SCHEMBL7897286 0.69 CA1 (0.32) HRH3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0933993-A4 SUBSTITUTED CYCLOPENTANE COMPOUNDS USEFUL AS NEURAMINIDASE INHIBITORS BIOCRYST PHARM INC (US) 2004-09-08 — — EP disclosed
EP-0933993-A1 SUBSTITUTED CYCLOPENTANE COMPOUNDS USEFUL AS NEURAMINIDASE INHIBITORS BIOCRYST PHARMACEUTICALS INC. (US) 1999-08-11 — — EP disclosed
WO-1997047194-A1 SUBSTITUTED CYCLOPENTANE COMPOUNDS USEFUL AS NEURAMINIDASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 1997-12-18 — — WO disclosed
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