SCHEMBL6867039

SCHEMBL6867039

CC(C)C[C@@H](NC(=O)[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1)C(=O)CN1CCCc2ccccc2C1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAOK1 Q7L7X3 2/20 0.43
TAOK3 Q9H2K8 2/20 0.43
ALDH1A1 P00352 1/20 0.41
DRD2 P14416 1/20 0.41
POLB P06746 2/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CTSK P43235 3/20 0.39
USP2 O75604 1/20 0.38
HTR2C P28335 1/20 0.38
PSMB5 P28074 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CCR1 P32246 1/20 0.37
CASP3 P42574 2/20 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
SCHEMBL5848731 1.00 TAOK1 (0.43) TAOK1TAOK3ALDH1A1DRD2POLB
SCHEMBL5850513 1.00 TAOK1 (0.43) TAOK1TAOK3ALDH1A1DRD2POLB
SCHEMBL5848493 1.00 TAOK1 (0.43) TAOK1TAOK3ALDH1A1DRD2POLB
SCHEMBL5848743 1.00 TAOK1 (0.43) TAOK1TAOK3ALDH1A1DRD2POLB
SCHEMBL5848769 0.96 TAOK1 (0.49) TAOK1TAOK3ALDH1A1DRD2POLB
SCHEMBL5849933 0.94 TAOK1 (0.41) TAOK1TAOK3ALDH1A1DRD2POLB
SCHEMBL5848335 0.94 POLB (0.42) TAOK1TAOK3ALDH1A1DRD2POLB
SCHEMBL5850113 0.94 CTSK (0.44) TAOK1TAOK3ALDH1A1DRD2POLB
SCHEMBL5848745 0.94 TAOK1 (0.41) TAOK1TAOK3ALDH1A1POLBHDAC1
SCHEMBL5848578 0.92 TAOK1 (0.42) TAOK1TAOK3ALDH1A1DRD2POLB

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-6809092-B2 1,3,4,5-TETRAHYDRO-2H-2-BENZAZEPIN-2-YL DERIVATIVES; CYSTEINE PROTEASE INHIBITORS ONO PHARMACEUTICAL CO., LTD. (JP) 2004-10-26 US claimed