SCHEMBL7060140

SCHEMBL7060140

CCC(c1ccc(Br)cc1)c1ccc(Br)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.52
SLC6A2 P23975 4/20 0.43
SLC6A4 P31645 4/20 0.43
SLC6A3 Q01959 4/20 0.43
CHRM2 P08172 3/20 0.43
CHRM1 P11229 3/20 0.43
DRD1 P21728 3/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
TBXA2R P21731 1/20 0.43
OPRM1 P35372 1/20 0.43
DRD3 P35462 1/20 0.43
HRH1 P35367 2/20 0.42
KCNH2 Q12809 2/20 0.42
HRH3 Q9Y5N1 2/20 0.42
CYP2D6 P10635 2/20 0.42
LMNA P02545 1/20 0.42
NFKB1 P19838 1/20 0.42
THPO P40225 1/20 0.42
HIF1A Q16665 1/20 0.42

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
SCHEMBL17802362 0.93 HTR2A (0.63) HTR2ASLC6A2SLC6A4SLC6A3CHRM2
SCHEMBL16036062 0.89 KMT2A (0.46) HTR2ASLC6A2SLC6A4SLC6A3CHRM2
Ammonia Solution, Strong SCHEMBL6000438 0.85 CYP17A1 (0.56) HTR2ASLC6A2SLC6A4SLC6A3CHRM2
SCHEMBL7979678 0.80 HTR2A (0.48) HTR2ASLC6A2SLC6A4SLC6A3CHRM2
SCHEMBL4731046 0.79 HDAC8 (0.50) HTR2ASLC6A2SLC6A3CHRM2CHRM1
Ammonia Solution, Strong SCHEMBL5999471 0.78 SLC6A4 (0.44) HTR2ASLC6A2SLC6A4SLC6A3CHRM2
SCHEMBL12506256 0.78 HTR2A (0.56) HTR2AHRH1LMNATAAR1
SCHEMBL2600188 0.77 ALDH1A1 (0.44) HTR2ACYP2A6ALDH1A1CYP2C9HPGD
SCHEMBL10610871 0.77 CYP1A2 (0.43) HTR2ACYP2D6CYP2A6CYP1A2ALDH1A1
SCHEMBL28344445 0.77 ALDH1A1 (0.44) HTR2ACYP2A6ALDH1A1CYP2C9HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6646096-B2 Manipulation of a control scheme for operating, controlling, monitoring and diagnosing various parameters and processes of polycarbonate batch-wise reactions, resulting in accurate determination of batch completion for reactions GENERAL ELECTRIC COMPANY 2003-11-11 US disclosed
US-20020111455-A1 Method for controlling the manufacture of polycarbonate and the polycarbonate formed thereby SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2002-08-15 US disclosed
WO-2002057337-A2 METHOD FOR CONTROLLING THE MANUFACTURE OF POLYCARBONATE AND THE POLYCARBONATE FORMED THEREBY GENERAL ELECTRIC COMPANY (US) 2002-07-25 WO disclosed