SCHEMBL7630438

SCHEMBL7630438

O=C(Nc1cccc2c(=O)cc(-c3nnn[nH]3)oc12)c1ccc2c(c1)CCC(CCCc1ccccc1)O2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 15/20 0.49
CYSLTR1 Q9Y271 15/20 0.49
ABCC4 O15439 1/20 0.48
ABCB11 O95342 1/20 0.48
PGR P06401 1/20 0.48
HTR1A P08908 1/20 0.48
AR P10275 1/20 0.48
CHRM1 P11229 1/20 0.48
DRD1 P21728 1/20 0.48
PTGS1 P23219 1/20 0.48
SLC6A2 P23975 1/20 0.48
PDE4A P27815 1/20 0.48
ADORA1 P30542 1/20 0.48
ADRA1A P35348 1/20 0.48
OPRM1 P35372 1/20 0.48
DRD3 P35462 1/20 0.48
SLC6A3 Q01959 1/20 0.48
GPR17 Q13304 1/20 0.48
NR1H4 Q96RI1 1/20 0.48
GPR35 Q9HC97 4/20 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
SCHEMBL7636361 0.93 CYSLTR2 (0.50) CYSLTR2CYSLTR1ABCC4ABCB11PGR
SCHEMBL7627935 0.89 CYSLTR2 (0.45) CYSLTR2CYSLTR1ABCC4ABCB11PGR
SCHEMBL7626468 0.85 GPR35 (0.56) CYSLTR2CYSLTR1GPR35GPR55
SCHEMBL7630861 0.84 CYSLTR2 (0.46) CYSLTR2CYSLTR1ABCC4ABCB11PGR
SCHEMBL7628831 0.80 GPR35 (0.46) CYSLTR2CYSLTR1ABCC4ABCB11PGR
SCHEMBL8163711 0.79 CYSLTR2 (0.76) CYSLTR2CYSLTR1ABCC4ABCB11PGR
Pranlukast SCHEMBL31756724 0.78 CYSLTR2 (0.76) CYSLTR2CYSLTR1ABCC4ABCB11PGR
Pranlukast SCHEMBL3693 0.78 CYSLTR2 (0.76) CYSLTR2CYSLTR1ABCC4ABCB11PGR
SCHEMBL7627975 0.78 CYSLTR2 (0.41) CYSLTR2CYSLTR1ABCC4ABCB11PGR
SCHEMBL6961638 0.78 GPR35 (0.59) CYSLTR2CYSLTR1ABCC4ABCB11PGR

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-0888327-B1 BENZOPYRAN DERIVATIVES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION MENARINI LAB (ES) 2002-06-12 EP disclosed
US-5990142-A ANTIINFLAMMATORY AGENTS AND ANTIALLERGENS HAVING GOOD ORAL ADSORPTION AND BIOAVAILABILITY; CARDIOTONIC AND ANTIISCHEMIC AGENTS LABORATORIOS MENARINI S.A. (ES) 1999-11-23 US disclosed