SCHEMBL5083303

SCHEMBL5083303

[CH2]CC(C)CC(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 5/20 0.47
CHRM2 P08172 2/20 0.47
CHRM1 P11229 2/20 0.47
ADRA1A P35348 2/20 0.47
SLC6A3 Q01959 2/20 0.47
KCNH2 Q12809 2/20 0.47
CACNA1F O60840 1/20 0.47
ADRA2B P18089 1/20 0.47
CHRM3 P20309 1/20 0.47
OPRK1 P41145 1/20 0.47
CACNA1D Q01668 1/20 0.47
CACNA1S Q13698 1/20 0.47
CACNA1C Q13936 1/20 0.47
SCN5A Q14524 1/20 0.47
TRPA1 O75762 4/20 0.45
TAAR1 Q96RJ0 5/20 0.41
HTR2A P28223 4/20 0.41
TDP1 Q9NUW8 1/20 0.40
CYP3A4 P08684 2/20 0.39
HTR1A P08908 1/20 0.39

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
SCHEMBL7937773 0.84 TRPA1 (0.64) HRH1CHRM2CHRM1ADRA1ASLC6A3
SCHEMBL5085704 0.79 HRH1 (0.48) HRH1CHRM2CHRM1ADRA1ASLC6A3
SCHEMBL7737298 0.76 HRH1 (0.50) HRH1CHRM2CHRM1ADRA1ASLC6A3
SCHEMBL22305164 0.76 TRPA1 (0.50) HRH1CHRM2CHRM1ADRA1ASLC6A3
SCHEMBL9493121 0.75 HRH1 (0.54) HRH1CHRM2CHRM1ADRA1ASLC6A3
SCHEMBL94275 0.75 HTR2A (0.52) HRH1TAAR1HTR2ATDP1LMNA
SCHEMBL9838705 0.74 HTR2A (0.58) HRH1CHRM2CHRM1ADRA1ASLC6A3
SCHEMBL112486 0.74 TRPA1 (0.48) HRH1CHRM2CHRM1ADRA1ASLC6A3
SCHEMBL6704370 0.73 TAAR1 (0.58) TRPA1TAAR1ADRA2ALMNAALDH1A1
SCHEMBL3864354 0.73 TRPA1 (0.61) HRH1CHRM2CHRM1ADRA1ASLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004715-A2 METHOD TO PREPARE BLOCK COPOLYMERS BY THE COMBINATION OF CATIONIC AND ANIONIC POLYMERIZATION UNIVERSITY OF MASSACHUSETTS LOWELL (US) 2008-12-24 EP disclosed
WO-2007117566-A2 METHOD TO PREPARE BLOCK COPOLYMERS BY THE COMBINATION OF CATIONIC AND ANIONIC POLYMERIZATION UNIVERSITY OF MASSACHUSETTS LOWELL (US) 2007-10-18 WO disclosed