SCHEMBL28069973

SCHEMBL28069973

O=CC1CCOc2c(Br)cc(Cl)cc21

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 5/20 0.33
ERN1 O75460 1/20 0.33
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
ADRA1A P35348 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
SCHEMBL27509754 0.84 SLC2A1 (0.35) ADRA2AADRA2BADRA2CADRA1A
SCHEMBL27490447 0.82 AR (0.32)
SCHEMBL16396399 0.76 MAP3K14 (0.49) SIRT2ADRA2AADRA2BADRA2CADRA1A
SCHEMBL29222608 0.72 MAP3K14 (0.47) ADRA2A
SCHEMBL1803831 0.70 HTR2C (0.38)
SCHEMBL1805815 0.70 HTR2C (0.38)
SCHEMBL1805816 0.70 HTR2C (0.38)
SCHEMBL1803830 0.70 HTR2C (0.38)
SCHEMBL1803832 0.70 HTR2C (0.38)
SCHEMBL29222712 0.69 ADRA2A (0.47) ADRA2AADRA2BADRA2CADRA1A

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
CN-105555766-A Aminomethyl-biaryl derivatives as complement factor D inhibitors and uses thereof NOVARTIS AG 2016-05-04 CN disclosed