SCHEMBL25457450

SCHEMBL25457450

Cc1nnc(-c2ccc(CNC(=O)[C@H](CCCCN)NC(=O)C(C)C)cc2)nn1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 3/20 0.51
▸ CA2 P00918 3/20 0.51
▸ CPB2 Q96IY4 2/20 0.41
▸ TLR2 O60603 3/20 0.40
▸ NPY1R P25929 7/20 0.40
▸ HDAC1 Q13547 1/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ NPY4R P50391 2/20 0.38
▸ NPY5R Q15761 1/20 0.38
▸ PSMB1 P20618 1/20 0.37
▸ PSMB8 P28062 1/20 0.37
▸ PSMB9 P28065 1/20 0.37
▸ PSMB5 P28074 1/20 0.37
▸ PSMB10 P40306 1/20 0.37
▸ PSMB2 P49721 1/20 0.37
▸ NMT2 O60551 1/20 0.37
▸ NMT1 P30419 1/20 0.37

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
SCHEMBL21151955 0.82 ERCC1 (0.50) HDAC1BACE1
SCHEMBL24823722 0.80 CA1 (0.48) CA1CA2NPY1R
SCHEMBL26271501 0.79 TLR2 (0.54) CA1CA2TLR2
SCHEMBL31041205 0.77 NPY1R (0.43) CA1CA2NPY1RNPY4RNPY5R
SCHEMBL31041141 0.77 NPY1R (0.44) CA1CA2NPY1RNPY4RNPY5R
SCHEMBL17373427 0.75 CA1 (0.61) CA1CA2CPB2TLR2PSMB5
SCHEMBL17373513 0.75 CA1 (0.61) CA1CA2CPB2TLR2PSMB5
SCHEMBL31041159 0.75 NPY1R (0.41) CA1CA2NPY1RNPY4RNPY5R
SCHEMBL25672758 0.74 CHRND (0.43) CA1CA2NPY1RNMT2NMT1
SCHEMBL26271523 0.72 SPHK1 (0.42) CA1CA2HDAC1

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-2023081809-A1 TRANS-CYCLOOCTENE-MODIFIED BISPECIFIC ANTIBODIES TAMBO, INC. (US) 2023-05-11 — — WO disclosed
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