SCHEMBL9530636

SCHEMBL9530636

O=C(O)c1ccc(Cc2c[nH]c3ccc(OCc4ccc5ccccc5n4)cc23)cc1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 0.62
CYSLTR1 Q9Y271 8/20 0.60
ALOX5 P09917 1/20 0.51

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
SCHEMBL8539274 0.95 GPBAR1 (0.63) GPBAR1CYSLTR1ALOX5
SCHEMBL8544696 0.90 GPBAR1 (0.63) GPBAR1CYSLTR1ALOX5
SCHEMBL8543455 0.84 CYSLTR1 (0.61) GPBAR1CYSLTR1ALOX5
SCHEMBL9529112 0.83 FFAR1 (0.62) GPBAR1CYSLTR1
SCHEMBL9209634 0.82 CYSLTR1 (0.59) GPBAR1CYSLTR1ALOX5
SCHEMBL9209653 0.80 GPBAR1 (0.53) GPBAR1CYSLTR1ALOX5
SCHEMBL8540828 0.79 GPBAR1 (0.54) GPBAR1CYSLTR1ALOX5
SCHEMBL7718896 0.78 GPBAR1 (0.90) GPBAR1CYSLTR1ALOX5
SCHEMBL7457682 0.78 GPBAR1 (0.90) GPBAR1CYSLTR1ALOX5
SCHEMBL7801672 0.78 GPBAR1 (0.85) GPBAR1CYSLTR1

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