SCHEMBL4780924

SCHEMBL4780924

CCOC(=O)CCc1ccc2c(c1)CC(NS(=O)(=O)c1ccc(-c3ccccc3C(C)C)cc1C(F)(F)F)C2

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 7/20 0.42
GRIA2 P42262 3/20 0.38
EPHX2 P34913 1/20 0.37
APOB P04114 3/20 0.37
MTTP P55157 3/20 0.37
CYP2C19 P33261 1/20 0.36
CASR P41180 1/20 0.36

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
SCHEMBL4784618 0.92 NR1H2 (0.46) NR1H2GRIA2EPHX2APOBMTTP
SCHEMBL4782179 0.91 NR1H2 (0.44) NR1H2GRIA2EPHX2APOBMTTP
SCHEMBL4784068 0.90 NR1H2 (0.44) NR1H2EPHX2APOBMTTP
SCHEMBL4782985 0.90 NR1H2 (0.44) NR1H2GRIA2EPHX2APOBMTTP
SCHEMBL4783332 0.90 NR1H2 (0.43) NR1H2GRIA2APOBMTTPCYP2C19
SCHEMBL4785575 0.90 NR1H2 (0.43) NR1H2EPHX2APOBMTTPCASR
SCHEMBL4784492 0.88 NR1H2 (0.42) NR1H2EPHX2APOBMTTP
SCHEMBL4783555 0.85 NR1H2 (0.51) NR1H2GRIA2EPHX2CASR
SCHEMBL4784693 0.84 NR1H2 (0.44) NR1H2EPHX2APOBMTTP
SCHEMBL4784456 0.84 NR1H2 (0.42) NR1H2GRIA2CASR

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
WO-2008061006-A1 SUBSTITUTED INDAN-2-YL, TETRAHYDRONAPHTHALEN-2-YL, OR DIHYDR0-2H-CHR0MEN-3-YL ARYLSULFONAMIDES AND METHODS OF THEIR USE WYETH (US) 2008-05-22 WO disclosed