SCHEMBL11439746

SCHEMBL11439746

O=C(O)COC(c1ccc(Br)cc1)c1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
CHRM1 P11229 1/20 0.46
DRD1 P21728 1/20 0.46
TBXA2R P21731 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
OPRM1 P35372 1/20 0.46
DRD3 P35462 1/20 0.46
SLC6A3 Q01959 1/20 0.46
PTGDR2 Q9Y5Y4 5/20 0.40
LDHA P00338 1/20 0.40
CYP1A2 P05177 1/20 0.40
CNR2 P34972 1/20 0.39
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL167430 0.82 ALOX15 (0.48) CHRM2HTR1AADRA2ACHRM1SLC6A2
SCHEMBL7876579 0.81 LMNA (0.47) SLC6A2SLC6A4DRD3SLC6A3CYP1A2
SCHEMBL9292448 0.81 MEN1 (0.48) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL8044031 0.80 LMNA (0.47) CHRM2HTR1AADRA2ACHRM1SLC6A2
Ammonia Solution, Strong SCHEMBL9292400 0.80 ALOX15 (0.47) CHRM2HTR1AADRA2ACHRM1SLC6A2
SCHEMBL11429361 0.78 NPSR1 (0.46) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL9291592 0.77 IDO1 (0.53) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL9292651 0.77 MEN1 (0.50) CHRM2ADRA2ACHRM1SLC6A2SLC6A4
SCHEMBL11192255 0.77 ALDH1A1 (0.54) CNR2ALDH1A1NPC1HPGDRAB9A
Propane SCHEMBL10335665 0.76 HTT (0.45) CHRM2HTR1AADRA2ACHRM1SLC6A2

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-4205087-A ANTIARTHRITIC AGENTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-05-27 US disclosed