SCHEMBL6012214

SCHEMBL6012214

CC(C)(C)OC(=O)CCN1C(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C12CCN(CCCCc1ccccc1)CC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
CCR5 P51681 14/20 0.51
CXCR4 P61073 2/20 0.51
HTR1A P08908 1/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
HTR2A P28223 1/20 0.46
SLC6A4 P31645 1/20 0.46
HRH1 P35367 1/20 0.46
DRD3 P35462 1/20 0.46
HTR2B P41595 1/20 0.46
CXCR3 P49682 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42

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
SCHEMBL6012653 0.99 CCR5 (0.52) POLBCCR5CXCR4HTR1ADRD2
SCHEMBL6012247 0.99 CCR5 (0.52) POLBCCR5CXCR4HTR1ADRD2
SCHEMBL6012293 0.99 POLB (0.51) POLBCCR5CXCR4HTR1ADRD2
SCHEMBL6611988 0.96 POLB (0.53) POLBCCR5CXCR4HTR1ADRD2
SCHEMBL6012666 0.92 POLB (0.53) POLBCCR5CXCR3KMT2A
SCHEMBL6613644 0.90 CCR5 (0.58) CCR5CXCR4CXCR3
SCHEMBL6012245 0.89 POLB (0.58) POLBHDAC3HDAC4HDAC1HDAC7
SCHEMBL6613835 0.89 CCR5 (0.60) CCR5CXCR4CXCR3
SCHEMBL6613448 0.89 CCR5 (0.60) CCR5CXCR4CXCR3
SCHEMBL6615583 0.88 POLB (0.55) POLBHTR1ADRD2DRD4HTR2A

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
US-7119091-B2 Triazaspiro[5.5]undecane derivatives and pharmaceutical compositions comprising thereof, as an active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-10-10 US disclosed
EP-1236726-B1 TRIAZASPIRO 5.5]UNDECANE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2004-12-01 EP disclosed
EP-1236726-A1 TRIAZASPIRO 5.5]UNDECANE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-09-04 EP disclosed