SCHEMBL978758

SCHEMBL978758

ClCOc1cc(Cl)c(Cl)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.52
ADRA2A P08913 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
ADRA2B P18089 1/20 0.52
ADRA2C P18825 1/20 0.52
TACR2 P21452 1/20 0.52
DRD1 P21728 1/20 0.52
SLC6A2 P23975 1/20 0.52
HTR2A P28223 1/20 0.52
HTR2C P28335 1/20 0.52
ADORA1 P30542 1/20 0.52
SLC6A4 P31645 1/20 0.52
OPRM1 P35372 1/20 0.52
DRD3 P35462 1/20 0.52
OPRK1 P41145 1/20 0.52
HTR6 P50406 1/20 0.52
SLC6A3 Q01959 1/20 0.52
KCNH2 Q12809 1/20 0.52
GALE Q14376 1/20 0.52
LMNA P02545 2/20 0.48

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
SCHEMBL11511184 0.77 NR1I2 (0.50) NR1I2ADRA2AADORA3ADRA2BADRA2C
SCHEMBL12299454 0.77 LMNA (0.52) NR1I2ADRA2AADORA3ADRA2BADRA2C
SCHEMBL11094283 0.74 NR1I2 (0.42) NR1I2ADRA2AADORA3ADRA2BADRA2C
SCHEMBL27382746 0.73 NR1I2 (0.47) NR1I2ADRA2AADORA3ADRA2BADRA2C
SCHEMBL134595 0.73 LMNA (0.48) NR1I2ADRA2AADORA3ADRA2BADRA2C
SCHEMBL29444902 0.73 LMNA (0.48) NR1I2ADRA2AADORA3ADRA2BADRA2C
SCHEMBL4897444 0.73 LMNA (0.48) NR1I2ADRA2AADORA3ADRA2BADRA2C
SCHEMBL3275231 0.73 TDP1 (0.58) NR1I2ADORA3SLC6A2SLC6A3LMNA
SCHEMBL3737958 0.72 NR1I2 (0.60) NR1I2ADRA2AADORA3ADRA2BADRA2C
SCHEMBL2641377 0.72 NR1I2 (0.60) NR1I2ADRA2AADORA3ADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8210021-B2 Aromas kit Crass, Christopher Bryan (US) 2012-07-03 US claimed
US-20110003732-A1 Aromas Kit CRASS, CHRISTOPHER BRYAN, MR. 2011-01-06 US claimed
CN-103961641-A Traditional Chinese medicine composition for treating bone fractures and preparation method of composition WEI HONGWEI 2014-08-06 CN disclosed
CN-1457835-A Draqon's blood dripping pill for removing blood stasis and killing pain, arresting bleeding and promoting granulation and its preparing method HONGYI SCIENCE AND TECHNOLOGY (CN) 2003-11-26 CN disclosed
US-4087450-A FUNGICIDES, ANTIFOULING AGENTS THE DOW CHEMICAL COMPANY (US) 1978-05-02 US disclosed