SCHEMBL8543705

SCHEMBL8543705

COC(=O)c1ccc2ccn(Cc3ccc(OCc4ccc5ccccc5n4)cc3)c2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 5/20 0.61
CYSLTR2 Q9NS75 1/20 0.54
GPBAR1 Q8TDU6 1/20 0.53
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
NCOR2 Q9Y618 1/20 0.52
ALOX5 P09917 1/20 0.51
FFAR1 O14842 1/20 0.50
AKR1B1 P15121 1/20 0.50
PDE10A Q9Y233 1/20 0.49
NR1H4 Q96RI1 1/20 0.49

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) CYSLTR1CYSLTR2GPBAR1HDAC3HDAC1
SCHEMBL8538241 0.91 CYSLTR1 (0.67) CYSLTR1CYSLTR2GPBAR1ALOX5ALOX5AP
SCHEMBL8538239 0.91 GPBAR1 (0.67) CYSLTR1CYSLTR2GPBAR1ALOX5FFAR1
SCHEMBL9199864 0.90 CYSLTR1 (0.60) CYSLTR1CYSLTR2GPBAR1HDAC11HDAC8
SCHEMBL8616407 0.85 CYSLTR1 (0.66) CYSLTR1CYSLTR2GPBAR1ALOX5ALOX5AP
SCHEMBL8539273 0.84 GPBAR1 (0.65) CYSLTR1CYSLTR2GPBAR1ALOX5FFAR1
SCHEMBL8542534 0.83 CYSLTR1 (0.52) CYSLTR1CYSLTR2GPBAR1ALOX5FFAR1
SCHEMBL8615945 0.82 CYSLTR1 (0.54) CYSLTR1CYSLTR2GPBAR1ALOX5FFAR1
SCHEMBL3271439 0.82 CYSLTR1 (0.76) CYSLTR1CYSLTR2GPBAR1ALOX5FFAR1
SCHEMBL8538426 0.81 CYSLTR1 (0.65) CYSLTR1CYSLTR2GPBAR1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0539117-B1 Compounds useful as leukotriene antagonists LILLY CO ELI (GB) 1998-03-11 EP disclosed
US-5410061-A Leukotriene antagonist LILLY INDUSTRIES LIMITED (GB) 1995-04-25 US disclosed
EP-0539117-A1 Compounds useful as leukotriene antagonists LILLY INDUSTRIES LIMITED (GB) 1993-04-28 EP disclosed