SCHEMBL8010672

SCHEMBL8010672

Cc1ccccc1N1C(=O)c2ccc(C(=O)NCCCN3CCN(c4ccccc4OC(C)C)CC3)cc2C1=O

nearest known ligand 0.84

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 20/20 0.84
ADRA1A P35348 20/20 0.84
ADRA1B P35368 7/20 0.80

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
SCHEMBL6586620 0.91 ADRA1D (1.00) ADRA1DADRA1AADRA1B
SCHEMBL6585122 0.89 ADRA1D (0.90) ADRA1DADRA1AADRA1B
SCHEMBL6584584 0.89 ADRA1D (1.00) ADRA1DADRA1AADRA1B
SCHEMBL6585818 0.88 ADRA1D (0.88) ADRA1DADRA1AADRA1B
SCHEMBL6584757 0.88 ADRA1D (0.87) ADRA1DADRA1AADRA1B
SCHEMBL6586285 0.87 ADRA1D (1.00) ADRA1DADRA1AADRA1B
SCHEMBL6586361 0.87 ADRA1D (0.87) ADRA1DADRA1AADRA1B
SCHEMBL6587554 0.87 ADRA1D (0.82) ADRA1DADRA1AADRA1B
SCHEMBL6585671 0.87 ADRA1D (1.00) ADRA1DADRA1AADRA1B
SCHEMBL8012834 0.86 ADRA1D (0.85) ADRA1DADRA1AADRA1B

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-6063785-A ISOMERS OF DRUGS FOR RACEMIC MIXTURES ORTHO-MCNEIL PHARMACEUTICAL INC. (US) 2000-05-16 US claimed