SCHEMBL11448804

SCHEMBL11448804

ClCC1COC(c2ccccc2)(c2ccccc2)O1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 13/20 0.54
HTR1A P08908 12/20 0.54
ADRA1D P25100 10/20 0.54
ADRA1B P35368 10/20 0.54
GAA P10253 1/20 0.54
HSD17B10 Q99714 1/20 0.54

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
SCHEMBL9721602 0.83 ADRA1A (0.39) ADRA1AHTR1AADRA1DADRA1BGAA
SCHEMBL6113534 0.82 HTR1A (0.55) ADRA1AHTR1AADRA1DADRA1BGAA
SCHEMBL11000707 0.82 ADRA1A (0.44) ADRA1AHTR1AADRA1DADRA1BGAA
SCHEMBL13502552 0.81 GRIN1 (0.37) ADRA1AHTR1AADRA1DADRA1BGAA
SCHEMBL19939756 0.79 CHRM2 (0.42) ADRA1AHTR1AADRA1DADRA1B
SCHEMBL12662787 0.79 GRIN1 (0.36) ADRA1AHTR1AADRA1DADRA1BGAA
SCHEMBL12132845 0.79 GRIN1 (0.37) ADRA1AHTR1AADRA1DADRA1BGAA
SCHEMBL12132844 0.79 GRIN1 (0.37) ADRA1AHTR1AADRA1DADRA1BGAA
SCHEMBL12132801 0.79 GRIN1 (0.37) ADRA1AHTR1AADRA1DADRA1BGAA
SCHEMBL28351399 0.78 CHRM2 (0.64) ADRA1AHTR1AADRA1DADRA1BGAA

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-4196213-A Method of producing infertility in male rodents THE UPJOHN COMPANY (US) 1980-04-01 US claimed