SCHEMBL8202744

SCHEMBL8202744

CCCC(C)NC(=O)c1ccc2c(c1)CCC(CCN1CCC(c3ccccc3)CC1)C2=O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.45
PRCP P42785 6/20 0.44
CCR2 P41597 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
NAMPT P43490 1/20 0.41
CCR1 P32246 2/20 0.40
DRD2 P14416 2/20 0.40
MCHR1 Q99705 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL8203440 0.91 HTR2C (0.49) HTR2CPRCPCCR1DRD2MCHR1
SCHEMBL8588802 0.86 HTR2C (0.48) HTR2CCCR2DRD2MCHR1LMNA
SCHEMBL8200776 0.86 HTR2C (0.45) HTR2CPRCPCCR1DRD2MCHR1
SCHEMBL8200335 0.86 HTR2C (0.45) HTR2CPRCPCCR1DRD2MCHR1
SCHEMBL8200268 0.86 HTR2C (0.46) HTR2CPRCPCCR2NPC1RAB9A
SCHEMBL8202809 0.85 HTR2C (0.45) HTR2CPRCPCCR2NAMPTDRD2
SCHEMBL8199972 0.84 HTR2C (0.46) HTR2CDRD2MCHR1
SCHEMBL8204772 0.84 HTR2C (0.50) HTR2CDRD2MCHR1
SCHEMBL8200324 0.84 HTR2C (0.45) HTR2CPRCPDRD2MCHR1LMNA
SCHEMBL8589689 0.83 HTR2C (0.44) HTR2CPRCPCCR2DRD2MCHR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6048877-A Tetralone derivatives as antiarrhythmic agents BRISTOL-MYERS SQUIBB COMPANY (US) 2000-04-11 US claimed
US-6048877-A Tetralone derivatives as antiarrhythmic agents BRISTOL-MYERS SQUIBB COMPANY (US) 2000-04-11 US disclosed