SCHEMBL10632525

SCHEMBL10632525

[CH2]COc1ccccc1C1CCCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.59
HTR1D P28221 2/20 0.54
HTR1B P28222 2/20 0.54
HTR1A P08908 8/20 0.49
SLC6A2 P23975 6/20 0.49
SLC6A4 P31645 6/20 0.49
ADRA2A P08913 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 2/20 0.49
ADRA1A P35348 2/20 0.49
USP2 O75604 1/20 0.49
CHRM1 P11229 1/20 0.49
CYP2C9 P11712 1/20 0.49
DRD1 P21728 1/20 0.49
TBXA2R P21731 1/20 0.49
PTGS1 P23219 1/20 0.49
OPRM1 P35372 1/20 0.49
DRD3 P35462 1/20 0.49
KCNH2 Q12809 1/20 0.49
SLC6A3 Q01959 4/20 0.47

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
SCHEMBL10632447 0.98 PTGDR2 (0.62) PTGDR2HTR1DHTR1BHTR1ASLC6A2
SCHEMBL12129219 0.81 HTR1D (0.61) PTGDR2HTR1DHTR1BHTR1ASLC6A2
SCHEMBL9255529 0.81 PTGDR2 (0.55) PTGDR2HTR1DHTR1BHTR1ASLC6A2
SCHEMBL195657 0.80 PTGDR2 (0.62) PTGDR2HTR1DHTR1BHTR1ASLC6A2
SCHEMBL7637813 0.79 PTGDR2 (0.60) PTGDR2HTR1DHTR1BHTR1ASLC6A2
SCHEMBL11127696 0.79 PTGDR2 (0.60) PTGDR2HTR1DHTR1BHTR1ASLC6A2
SCHEMBL11373736 0.77 PTGDR2 (0.63) PTGDR2HTR1DHTR1BHTR1ASLC6A2
SCHEMBL516573 0.77 PTGDR2 (0.63) PTGDR2HTR1DHTR1BHTR1ASLC6A2
SCHEMBL11372543 0.77 PTGDR2 (0.63) PTGDR2HTR1DHTR1BHTR1ASLC6A2
SCHEMBL2095933 0.77 PTGDR2 (0.54) PTGDR2HTR1DHTR1BHTR1ASLC6A2

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-4772292-A Mixture of yellow disperse dyestuffs containing pyridone disazo dye CASSELLA AKTIENGESELLSCHAFT (DE) 1988-09-20 US claimed