SCHEMBL8545153

SCHEMBL8545153

Cc1cn(CCC2CCN(C(=O)c3ccccc3)CC2)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.51
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
ACHE P22303 1/20 0.49
FAAH O00519 1/20 0.48
HTR2B P41595 1/20 0.45
NAMPT P43490 1/20 0.45
KDM2B Q8NHM5 1/20 0.43
EPHX1 P07099 1/20 0.43
L3MBTL3 Q96JM7 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL8545014 0.82 CPB1 (0.60) KDM4CFAAHL3MBTL1MEN1KMT2A
SCHEMBL8543429 0.79 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8540527 0.79 HDAC3 (0.52) KDM4CHDAC3HDAC4HDAC1HDAC7
SCHEMBL8544948 0.77 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8544090 0.77 FAAH (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22302587 0.77 HRH3 (0.43) KDM4CACHEKDM2B
SCHEMBL10274485 0.76 HDAC3 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8541372 0.75 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9029989 0.74 HDAC3 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8545666 0.74 LMNA (0.63) HDAC3HDAC4HDAC1HDAC7HDAC2

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-0705258-B1 AZOLYL-CYCLIC AMINE DERIVATIVES WITH IMMUNOMODULATORY ACTIVITY KNOLL AG (DE) 1998-12-30 EP disclosed
US-5741800-A ANTIINFLAMMATORY AGENT, ANTIALLERGENS KNOLL AKTIENGESELLACHAFT (DE) 1998-04-21 US disclosed
WO-1995000507-A1 AZOLYL-CYCLIC AMINE DERIVATIVES WITH IMMUNOMODULATORY ACTIVITY KNOLL AG (DE) 1995-01-05 WO disclosed