SCHEMBL7209700

SCHEMBL7209700

CCCC1CCC(C2CCC(c3ccccc3OCOC)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.42
HTR1B P28222 2/20 0.42
DRD2 P14416 1/20 0.42
HTR2C P28335 2/20 0.38
HTR1A P08908 5/20 0.38
CYP1A2 P05177 2/20 0.38
ADRA2A P08913 2/20 0.38
CYP2D6 P10635 2/20 0.38
ADRA1A P35348 2/20 0.38
THRB P10828 1/20 0.38
TSHR P16473 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
ADRA1D P25100 1/20 0.38
CYP2C19 P33261 1/20 0.38
ADRA1B P35368 1/20 0.38
THPO P40225 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NISCH Q9Y2I1 1/20 0.38
SLC6A2 P23975 4/20 0.37

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
SCHEMBL9810931 0.83 HTR1D (0.48) HTR1DHTR1BDRD2HTR2CHTR1A
SCHEMBL1509960 0.83 HTR1D (0.47) HTR1DHTR1BDRD2HTR2CHTR1A
SCHEMBL2882226 0.82 DRD2 (0.36) HTR1DHTR1BDRD2HTR2CHTR1A
SCHEMBL9810929 0.82 DRD2 (0.60) DRD2HTR2CMEN1KMT2A
SCHEMBL5836573 0.80 DRD2 (0.40) HTR1DHTR1BDRD2HTR2CSSTR4
SCHEMBL5836563 0.80 DRD2 (0.40) HTR1DHTR1BDRD2HTR2CSSTR4
SCHEMBL10323522 0.78 PTGDR2 (0.53) HTR1DHTR1BDRD2HTR2CHTR1A
SCHEMBL17528224 0.76 CYP2C9 (0.35) LMNACYP2C9ALDH1A1MAPTHTT
SCHEMBL713556 0.76 CYP2C9 (0.40) DRD2HTR2CCYP2D6SLC6A2SLC6A4
SCHEMBL4650755 0.75 CYP2C9 (0.44) DRD2SLC6A4LMNACYP2C9ALDH1A1

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-6576303-B1 Negative and absolutely large Delta set- membership value CHISSO CORPORATION (JP) 2003-06-10 US disclosed