SCHEMBL5203314

SCHEMBL5203314

COC(=O)Oc1ccc2c(N=CC(O)(CC(C)(C)c3cc(Cl)ccc3OC)C(F)(F)F)cccc2n1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 17/20 0.40
NR3C2 P08235 12/20 0.37
PGR P06401 3/20 0.37
IGF1R P08069 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.33

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
SCHEMBL5201683 0.94 NR3C1 (0.36) NR3C1NR3C2PGRIGF1R
SCHEMBL5203194 0.93 NR3C1 (0.39) NR3C1NR3C2PGRIGF1R
SCHEMBL5203051 0.92 NR3C1 (0.49) NR3C1NR3C2PGR
SCHEMBL4823435 0.88 MRGPRX4 (0.43) NR3C1NR3C2PGRIGF1RMRGPRX4
SCHEMBL4823447 0.88 MRGPRX4 (0.43) NR3C1NR3C2PGRIGF1RMRGPRX4
SCHEMBL4823443 0.88 MRGPRX4 (0.43) NR3C1NR3C2PGRIGF1RMRGPRX4
SCHEMBL5203059 0.86 NR3C1 (0.35) NR3C1NR3C2PGRIGF1R
SCHEMBL4825973 0.85 NR3C1 (0.40) NR3C1NR3C2PGRIGF1RMRGPRX4
SCHEMBL4825978 0.85 NR3C1 (0.40) NR3C1NR3C2PGRIGF1RMRGPRX4
SCHEMBL4825975 0.85 NR3C1 (0.40) NR3C1NR3C2PGRIGF1RMRGPRX4

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 1 patent. 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