SCHEMBL8029247

SCHEMBL8029247

CC1CC(=O)c2cc(OCc3ccc4ccccc4n3)cnc2C1=CO

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
CYSLTR1 Q9Y271 6/20 0.44
CYSLTR2 Q9NS75 1/20 0.44
GPBAR1 Q8TDU6 5/20 0.43
PDE10A Q9Y233 3/20 0.43

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
SCHEMBL8462301 0.85 CYSLTR1 (0.44) ALOX5CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL8032722 0.78 CYSLTR1 (0.49) ALOX5CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL9139894 0.72 PDE10A (0.53) ALOX5CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL8462399 0.72 PDE10A (0.44) ALOX5CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL8462384 0.72 CYSLTR1 (0.44) ALOX5CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL8461158 0.69 CYSLTR1 (0.49) ALOX5CYSLTR1CYSLTR2GPBAR1
SCHEMBL8461147 0.69 CYSLTR1 (0.49) ALOX5CYSLTR1CYSLTR2GPBAR1
SCHEMBL8461154 0.69 CYSLTR1 (0.49) ALOX5CYSLTR1CYSLTR2GPBAR1
SCHEMBL8029124 0.68 GPBAR1 (0.49) ALOX5CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL8032678 0.68 GPBAR1 (0.49) ALOX5CYSLTR1CYSLTR2GPBAR1PDE10A

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-6166031-A Substituted tetralins, chromans and related compounds in the treatment of asthma PFIZER INC, (US) 2000-12-26 US disclosed