SCHEMBL9530848

SCHEMBL9530848

CCOC(=O)Cc1cc2cc(OCc3ccc4ccccc4n3)ccc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 9/20 0.59
CYSLTR2 Q9NS75 6/20 0.59
ALOX5 P09917 2/20 0.52
GPBAR1 Q8TDU6 4/20 0.49
FFAR1 O14842 1/20 0.47
AKR1B1 P15121 1/20 0.47
PDE10A Q9Y233 1/20 0.47

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
SCHEMBL9529563 0.90 CYSLTR1 (0.63) CYSLTR1CYSLTR2ALOX5GPBAR1FFAR1
SCHEMBL9199458 0.82 GPBAR1 (0.59) CYSLTR1CYSLTR2ALOX5GPBAR1FFAR1
SCHEMBL9209068 0.82 CYSLTR1 (0.53) CYSLTR1CYSLTR2ALOX5GPBAR1
SCHEMBL2108367 0.80 ALOX5AP (0.57)
SCHEMBL1419751 0.80 CYSLTR1 (0.73) CYSLTR1CYSLTR2ALOX5GPBAR1FFAR1
SCHEMBL9211036 0.79 CYSLTR1 (0.52) CYSLTR1ALOX5GPBAR1
SCHEMBL9208722 0.79 CYSLTR1 (0.60) CYSLTR1CYSLTR2ALOX5GPBAR1PDE10A
SCHEMBL9529814 0.79 CYSLTR1 (0.52) CYSLTR1CYSLTR2GPBAR1FFAR1AKR1B1
SCHEMBL9209194 0.77 CYSLTR1 (0.59) CYSLTR1CYSLTR2ALOX5GPBAR1FFAR1
SCHEMBL9530803 0.76 PDE10A (0.52) CYSLTR1CYSLTR2GPBAR1FFAR1AKR1B1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0544821-A1 INDOLE DERIVATIVES AS ANTIALLERGY AND ANTIINFLAMMATORY AGENTS. PFIZER (US) 1993-06-09 EP disclosed
WO-1992006088-A1 INDOLE DERIVATIVES AS ANTIALLERGY AND ANTIINFLAMMATORY AGENTS PFIZER INC. (US) 1992-04-16 WO disclosed