SCHEMBL24820171

SCHEMBL24820171

CCCN[C@@H]1CCCC1=O

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.37
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
ACHE P22303 1/20 0.34
KMT2A Q03164 1/20 0.33

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
SCHEMBL6243199 0.94 CA1 (0.42) HTTCA1CA2CA4ACHE
SCHEMBL22563652 0.83
SCHEMBL9810899 0.83 CA1 (0.39) CA1CA2CA4KMT2A
SCHEMBL1460586 0.82 S1PR1 (0.40) CA1CA2CA4
SCHEMBL17591686 0.80 S1PR1 (0.42)
SCHEMBL1664270 0.79 NAAA (0.44)
SCHEMBL12809361 0.77 KDM1A (0.35) CA1CA2
SCHEMBL24819077 0.76 CA2 (0.34) HTTCA1CA2CA4KMT2A
SCHEMBL24819083 0.76 CA2 (0.34) HTTCA1CA2CA4KMT2A
SCHEMBL24819080 0.76 CA2 (0.34) HTTCA1CA2CA4KMT2A

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-2022272248-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2022-12-29 WO disclosed