SCHEMBL8890460

SCHEMBL8890460

Nc1cccc(CC2COc3ccc(OCc4nc5cc(F)ccc5s4)cc3C2O)c1

nearest known ligand 0.80

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 8/20 0.80
CYSLTR2 Q9NS75 7/20 0.80
LTB4R Q15722 5/20 0.47
PTGER4 P35408 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL8891840 0.91 CYSLTR1 (0.67) CYSLTR1CYSLTR2LTB4R
SCHEMBL8829354 0.89 CYSLTR1 (0.88) CYSLTR1CYSLTR2LTB4RPTGER4LTB4R2
SCHEMBL8829348 0.89 CYSLTR1 (0.88) CYSLTR1CYSLTR2LTB4RPTGER4LTB4R2
SCHEMBL8829350 0.89 CYSLTR1 (0.88) CYSLTR1CYSLTR2LTB4RPTGER4LTB4R2
SCHEMBL1223364 0.89 CYSLTR1 (1.00) CYSLTR1CYSLTR2LTB4RPTGER4LTB4R2
SCHEMBL8464474 0.89 CYSLTR1 (1.00) CYSLTR1CYSLTR2LTB4RPTGER4LTB4R2
SCHEMBL1223366 0.89 CYSLTR1 (1.00) CYSLTR1CYSLTR2LTB4RPTGER4LTB4R2
SCHEMBL8462615 0.87 CYSLTR1 (0.85) CYSLTR1CYSLTR2LTB4RPTGER4LTB4R2
SCHEMBL8466061 0.87 CYSLTR1 (0.85) CYSLTR1CYSLTR2LTB4RPTGER4LTB4R2
SCHEMBL10598407 0.87 CYSLTR1 (0.85) CYSLTR1CYSLTR2LTB4RPTGER4LTB4R2

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
US-5641789-A INHIBITORS OF LEUKOTRIENES AND/OR BLOCKERS OF LEUKOTRIENE RECEPTORS; USEFUL IN PREVENTION OR TREATMENT OF ASTHMA, ARTHRITIS, PSORIASIS, ULCERS, MYOCARDIAL INFARCTION PFIZER INC. (US) 1997-06-24 US disclosed
EP-0665842-A1 SULFONAMIDE DERIVATIVES OF BENZENEFUSED HYDROXY SUBSTITUTED CYCLOALKYL AND HETEROCYCLIC RING COMPOUNDS PFIZER INC. (US) 1995-08-09 EP disclosed
WO-1994008996-A1 SULFONAMIDE DERIVATIVES OF BENZENEFUSED HYDROXY SUBSTITUTED CYCLOALKYL AND HETEROCYCLIC RING COMPOUNDS PFIZER INC. (US) 1994-04-28 WO disclosed