SCHEMBL2875697

SCHEMBL2875697

BrC(Br)CCCc1ccccc1CCCC(Br)Br

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.33
SLC6A4 P31645 2/20 0.32
LIPG Q9Y5X9 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A3 Q01959 1/20 0.32
FDFT1 P37268 2/20 0.32
MPO P05164 1/20 0.31
HTR2A P28223 1/20 0.31
CYSLTR2 Q9NS75 1/20 0.30
CYSLTR1 Q9Y271 1/20 0.30
CYP1A1 P04798 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP1B1 Q16678 1/20 0.30
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 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
SCHEMBL2876025 0.93 LIPG (0.35) TAAR1SLC6A4LIPGSLC6A2SLC6A3
SCHEMBL2878200 0.91 LIPG (0.38) LIPGCYSLTR2CYSLTR1
SCHEMBL2878774 0.91 LIPG (0.38) LIPGCYSLTR2CYSLTR1
SCHEMBL2876410 0.91 LIPG (0.38) LIPGCYSLTR2CYSLTR1
SCHEMBL4619731 0.85 MPO (0.50) TAAR1SLC6A4MPO
SCHEMBL2875377 0.84 SLC6A2 (0.39) TAAR1SLC6A4SLC6A2SLC6A3HTR2A
SCHEMBL6680540 0.82 SIGMAR1 (0.47) CYP1A2
SCHEMBL6682085 0.78 SIGMAR1 (0.48) SLC6A3HTR2A
SCHEMBL9751193 0.78 MGLL (0.51) TAAR1SLC6A4MPO
SCHEMBL6680566 0.76 SIGMAR1 (0.46) SLC6A4SLC6A2CYP1A2

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
US-20100151392-A1 ANTIREFLECTIVE COATING COMPOSITIONS RAHMAN M DALIL 2010-06-17 US disclosed