SCHEMBL8447250

SCHEMBL8447250

CCC(CC)(NCCCn1cnc(COC(C)=O)c1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 9/20 0.37
CPB1 P15086 4/20 0.36
ALDH1A1 P00352 1/20 0.34
QPCT Q16769 1/20 0.34
CASR P41180 1/20 0.33
NMBR P28336 1/20 0.32
KDM1A O60341 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
KDM4A O75164 1/20 0.32
KDM4C Q9H3R0 1/20 0.32

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
SCHEMBL8443443 0.84 CPB2 (0.36) CPB2CPB1QPCTKDM1AHDAC6
SCHEMBL7877070 0.80 ESRRG (0.41) KDM1AHDAC6
SCHEMBL7875144 0.80 CPB2 (0.40) CPB2CPB1QPCTKDM1A
SCHEMBL3573464 0.70 SIRT2 (0.49) ALDH1A1NMBR
Alcohol SCHEMBL6432975 0.70 SIRT2 (0.47) ALDH1A1NMBR
SCHEMBL9036093 0.70 CPB2 (0.38) CPB2CPB1ALDH1A1
SCHEMBL8443379 0.69 CYP11B1 (0.52) ALDH1A1QPCT
SCHEMBL9367927 0.69 ALDH1A1 (0.37) ALDH1A1HDAC6
SCHEMBL13617430 0.67 CPB2 (0.46) CPB2CPB1
SCHEMBL7713289 0.67 SIRT2 (0.46) ALDH1A1NMBR

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-0618907-B1 1-(ARYLALKYL-AMINOALKYL)IMIDAZOLE DERIVATIVES, PROCESSES OF PREPARATION AND USE AS THERAPEUTICAL AGENTS BRITISH TECH GROUP INT (GB) 1999-04-28 EP disclosed
US-5547972-A 1-(ARLALKYLAMINOALKYL) IMIDAZOLE DERIVATIVES THE BOOTS COMPANY PLC (GB) 1996-08-20 US disclosed
WO-1993013075-A1 1-(ARYLALKYL-AMINOALKYL)IMIDAZOLE DERIVATIVES, PROCESSES OF PREPARATION AND USE AS THERAPEUTICAL AGENTS THE BOOTS COMPANY PLC (GB) 1993-07-08 WO disclosed