SCHEMBL170142

SCHEMBL170142

CCCOc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCN(c4ccc(C(O)(C(F)(F)F)C(F)(F)F)cc4CCC)C(C)C3)C2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 20/20 0.55
NR1H3 Q13133 19/20 0.55

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
SCHEMBL140005 0.91 NR1H2 (0.63) NR1H2NR1H3
SCHEMBL170141 0.91 NR1H2 (0.63) NR1H2NR1H3
SCHEMBL13031363 0.91 NR1H2 (0.63) NR1H2NR1H3
SCHEMBL13031355 0.91 NR1H2 (0.63) NR1H2NR1H3
SCHEMBL3597901 0.91 NR1H2 (0.63) NR1H2NR1H3
SCHEMBL13031377 0.86 NR1H2 (0.60) NR1H2NR1H3
SCHEMBL3591709 0.86 NR1H2 (0.60) NR1H2NR1H3
SCHEMBL3592026 0.86 NR1H2 (0.60) NR1H2NR1H3
SCHEMBL13031375 0.86 NR1H2 (0.60) NR1H2NR1H3
SCHEMBL3596332 0.86 NR1H2 (0.62) 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
EP-2426113-A1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER Kowa Company, Ltd. (JP) 2012-03-07 EP disclosed