SCHEMBL5201683

SCHEMBL5201683

COC(=O)Oc1ccc2c(N=CC(O)(CC(C)(C)c3ccc(Cl)cc3OC)C(F)(F)F)cccc2n1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 10/20 0.36
IGF1R P08069 3/20 0.34
CYP19A1 P11511 1/20 0.33
NR3C2 P08235 6/20 0.32
PGR P06401 2/20 0.32
CTSA P10619 2/20 0.31
MALT1 Q9UDY8 1/20 0.31
LTB4R Q15722 1/20 0.31

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
SCHEMBL5203314 0.94 NR3C1 (0.40) NR3C1IGF1RNR3C2PGR
SCHEMBL5203059 0.92 NR3C1 (0.35) NR3C1IGF1RCYP19A1NR3C2PGR
SCHEMBL4821088 0.88 MRGPRX4 (0.40) NR3C1IGF1RCYP19A1NR3C2PGR
SCHEMBL4821113 0.88 MRGPRX4 (0.40) NR3C1IGF1RCYP19A1NR3C2PGR
SCHEMBL4821100 0.88 MRGPRX4 (0.40) NR3C1IGF1RCYP19A1NR3C2PGR
SCHEMBL5203194 0.87 NR3C1 (0.39) NR3C1IGF1RNR3C2PGR
SCHEMBL5203051 0.87 NR3C1 (0.49) NR3C1NR3C2PGR
SCHEMBL4820381 0.87 NR3C1 (0.36) NR3C1IGF1RCYP19A1NR3C2PGR
SCHEMBL4820369 0.87 NR3C1 (0.36) NR3C1IGF1RCYP19A1NR3C2PGR
SCHEMBL4820376 0.87 NR3C1 (0.36) NR3C1IGF1RCYP19A1NR3C2PGR

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-1492771-B1 QUINOLINE AND ISOQUINOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AG (DE) 2007-02-28 EP disclosed
EP-1492771-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-01-05 EP disclosed
WO-2003082827-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2003-10-09 WO disclosed