SCHEMBL20780485

SCHEMBL20780485

CC(C)N1CC(c2cc(Br)cc(C(F)(F)F)c2)OC1=O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CETP P11597 6/20 0.40
HTR2B P41595 2/20 0.37
CHRM2 P08172 1/20 0.37
HTR1A P08908 1/20 0.37
DRD3 P35462 1/20 0.37
NOTUM Q6P988 1/20 0.33
TACR1 P25103 6/20 0.32
SMYD2 Q9NRG4 1/20 0.31
P2RX4 Q99571 1/20 0.30
P2RX7 Q99572 1/20 0.30

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
SCHEMBL20780432 0.91 CETP (0.45) CETPHTR2BCHRM2HTR1ADRD3
SCHEMBL20794455 0.86 CETP (0.41) CETPHTR2BCHRM2HTR1ADRD3
SCHEMBL15744001 0.84 CETP (0.37) CETPHTR2BCHRM2HTR1ADRD3
SCHEMBL13395500 0.82 CETP (0.36) CETPHTR2BCHRM2HTR1ADRD3
SCHEMBL20780482 0.82 HTR1A (0.56) CETPHTR2BCHRM2HTR1ADRD3
SCHEMBL20780487 0.81 CETP (0.40) CETPHTR2BCHRM2HTR1ADRD3
SCHEMBL14214515 0.81 CETP (0.43) CETPHTR2BCHRM2HTR1ADRD3
SCHEMBL13950177 0.80 CETP (0.42) CETPHTR2BCHRM2HTR1ADRD3
SCHEMBL23846735 0.74 CETP (0.42) CETPHTR2BCHRM2HTR1ADRD3
SCHEMBL20794457 0.74 CETP (0.42) CETPHTR2BCHRM2HTR1ADRD3

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
WO-2019043018-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS DALCOR PHARMA UK LTD., STOCKPORT ZUG BRANCH (CH) 2019-03-07 WO disclosed