SCHEMBL13458449

SCHEMBL13458449

CC1(c2ccc3c(c2)CCO3)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.45
DYRK1A Q13627 7/20 0.43
DYRK1B Q9Y463 5/20 0.43
DYRK2 Q92630 3/20 0.43
SLC6A2 P23975 5/20 0.42
SLC6A4 P31645 5/20 0.42
CLK1 P49759 3/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
ERN1 O75460 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL12742728 0.91 DYRK1A (0.46) PRKCIDYRK1ADYRK1BDYRK2SLC6A2
SCHEMBL12742724 0.77 MAOB (0.44) DYRK1ADYRK1BDYRK2CLK1MAPT
SCHEMBL19264977 0.76 PRKCI (0.43) PRKCIDYRK1ADYRK1BDYRK2SLC6A2
SCHEMBL13365167 0.76 SLC6A2 (0.46) PRKCISLC6A2SLC6A4HDAC3HDAC4
SCHEMBL21907080 0.75 PRKCI (0.45) PRKCIDYRK1ADYRK1BDYRK2SLC6A2
SCHEMBL17656334 0.75 ERN1 (0.44) PRKCIDYRK1ADYRK1BDYRK2SLC6A2
SCHEMBL1465591 0.73 SLC6A2 (0.44) PRKCISLC6A2SLC6A4HDAC3HDAC4
SCHEMBL19753163 0.73 LMNA (0.53) SLC6A2SLC6A4MAPT
SCHEMBL104120 0.72 LMNA (0.47) DYRK1ADYRK1BDYRK2SLC6A2SLC6A4
SCHEMBL8806322 0.72 DRD2 (0.46) PRKCIDYRK1ADYRK1BDYRK2SLC6A2

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
EP-1589029-B1 Pyrazinone protease inhibitors ORTHO MCNEIL PHARM INC (US) 2010-03-17 EP disclosed