SCHEMBL13601614

SCHEMBL13601614

C=C1NC(C)(c2ccc(OC(C)C)cc2)C(=O)N1CCc1cccc(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2CCC)c1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 20/20 0.72
NR1H3 Q13133 15/20 0.72

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
SCHEMBL3222343 0.95 NR1H2 (0.80) NR1H2NR1H3
SCHEMBL1104480 0.87 NR1H2 (0.66) NR1H2NR1H3
SCHEMBL13601529 0.86 NR1H2 (0.89) NR1H2NR1H3
SCHEMBL1093271 0.84 NR1H2 (0.73) NR1H2NR1H3
SCHEMBL1092778 0.84 NR1H2 (1.00) NR1H2NR1H3
SCHEMBL1101214 0.84 NR1H2 (0.77) NR1H2NR1H3
SCHEMBL1091887 0.83 NR1H2 (0.76) NR1H2NR1H3
SCHEMBL1104481 0.81 NR1H2 (0.77) NR1H2NR1H3
SCHEMBL1092948 0.80 NR1H2 (1.00) NR1H2NR1H3
SCHEMBL1093158 0.80 NR1H2 (1.00) NR1H2NR1H3

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-2009144961-A1 SUBSTITUTED CARBINOL COMPOUND HAVING CYCLIC LINKER 興和株式会社 (JP) 2009-12-03 WO disclosed