SCHEMBL2875377

SCHEMBL2875377

BrC(Br)CCc1ccccc1CCC(Br)Br

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
TAAR1 Q96RJ0 8/20 0.36
HTR2A P28223 1/20 0.33
CYP1A1 P04798 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP1B1 Q16678 1/20 0.32
HIF1A Q16665 1/20 0.32
HSPA5 P11021 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
IDO1 P14902 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
SCHEMBL2875697 0.84 TAAR1 (0.33) SLC6A2SLC6A4SLC6A3TAAR1HTR2A
SCHEMBL4618534 0.84 TAAR1 (0.54) SLC6A4TAAR1HIF1AHSPA5IDO1
SCHEMBL2876025 0.82 LIPG (0.35) SLC6A2SLC6A4SLC6A3TAAR1HTR2A
SCHEMBL4192867 0.81 TDP1 (0.52) TAAR1HTR2ATDP1
SCHEMBL2878200 0.80 LIPG (0.38)
SCHEMBL2876410 0.80 LIPG (0.38)
SCHEMBL2878774 0.80 LIPG (0.38)
SCHEMBL6684869 0.80 CYP1A2 (0.48) CYP1A2TDP1
SCHEMBL2875373 0.77 GFER (0.36) TAAR1HTR2ATDP1
SCHEMBL2975880 0.73

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