SCHEMBL20138526

SCHEMBL20138526

c1ccc2c(c1)CCC(CC1CCCCC1)O2

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.50
HTR1A P08908 7/20 0.49
SIGMAR1 Q99720 2/20 0.49
ADRA2A P08913 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
HTR1D P28221 5/20 0.45

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
SCHEMBL10367376 0.85 HRH3 (0.43) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL7321128 0.82 HTR1A (0.56) CA2HTR1AHTR1D
SCHEMBL7318326 0.82 HTR1A (0.56) CA2HTR1AHTR1D
SCHEMBL7317348 0.82 HTR1A (0.56) CA2HTR1AHTR1D
Hydrochloric Acid SCHEMBL7312318 0.81 HTR1A (0.55) CA2HTR1AHTR1D
Hydrochloric Acid SCHEMBL7315820 0.81 HTR1A (0.55) CA2HTR1AHTR1D
SCHEMBL7309998 0.80 HTR1A (0.57) CA2HTR1AHTR1D
SCHEMBL10366763 0.80 CCR1 (0.38) CA2
SCHEMBL4936360 0.78 CA2 (0.56) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL4936349 0.78 CA2 (0.56) CA2HTR1ASIGMAR1ADRA2AADRA2B

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-20180132516-A1 POSITIVE ALLOSTERIC MODULATORS OF SWEET TASTE SENSORYGEN INC (US) 2018-05-17 US disclosed