SCHEMBL9199864

SCHEMBL9199864

COC(=O)c1ccc(Cn2ccc3cc(OCc4ccc5ccccc5n4)ccc32)cc1

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 4/20 0.60
ALOX5AP P20292 7/20 0.53
CYSLTR2 Q9NS75 1/20 0.51
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
GPBAR1 Q8TDU6 1/20 0.50

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
SCHEMBL8540124 0.94 CYSLTR1 (0.60) CYSLTR1ALOX5APCYSLTR2HDAC11HDAC8
SCHEMBL8543705 0.90 CYSLTR1 (0.61) CYSLTR1ALOX5APCYSLTR2HDAC11HDAC8
SCHEMBL9203135 0.90 CYSLTR1 (0.65) CYSLTR1GPBAR1
SCHEMBL8616407 0.89 CYSLTR1 (0.66) CYSLTR1ALOX5APCYSLTR2GPBAR1
SCHEMBL8539273 0.87 GPBAR1 (0.65) CYSLTR1ALOX5APCYSLTR2GPBAR1
SCHEMBL8538241 0.85 CYSLTR1 (0.67) CYSLTR1ALOX5APCYSLTR2GPBAR1
SCHEMBL9202041 0.85 ALOX5AP (0.55) CYSLTR1ALOX5APCYSLTR2GPBAR1
SCHEMBL9199593 0.82 CYSLTR1 (0.56) CYSLTR1ALOX5APCYSLTR2GPBAR1
SCHEMBL8538239 0.82 GPBAR1 (0.67) CYSLTR1CYSLTR2GPBAR1
SCHEMBL8538620 0.82 HDAC6 (0.56) CYSLTR1ALOX5APCYSLTR2HDAC11HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0544821-B1 INDOLE DERIVATIVES AS ANTIALLERGY AND ANTIINFLAMMATORY AGENTS PFIZER (US) 1995-01-11 EP disclosed
US-5290788-A Indole derivatives as antiallergy and antiinflammatory agents PFIZER INC. (US) 1994-03-01 US disclosed
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