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Sugi Predict / Compounds / SCHEMBL171642

SCHEMBL171642

SCHEMBL171642

CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1N1CCN(C(=O)CN2C(=O)NC(C)(c3ccc4c(c3)CCO4)C2=O)C[C@H]1N

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 20/20 0.51
▸ NR1H3 Q13133 20/20 0.51

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
SCHEMBL102564 0.93 NR1H2 (0.52) NR1H2NR1H3
SCHEMBL13031364 0.93 NR1H2 (0.52) NR1H2NR1H3
SCHEMBL102563 0.93 NR1H2 (0.52) NR1H2NR1H3
SCHEMBL13031361 0.93 NR1H2 (0.52) NR1H2NR1H3
SCHEMBL105085 0.93 NR1H2 (0.52) NR1H2NR1H3
SCHEMBL107896 0.89 NR1H2 (0.55) NR1H2NR1H3
SCHEMBL106205 0.88 NR1H2 (0.52) NR1H2NR1H3
SCHEMBL106204 0.88 NR1H2 (0.52) NR1H2NR1H3
SCHEMBL104757 0.86 NR1H2 (0.53) NR1H2NR1H3
SCHEMBL13031368 0.86 NR1H2 (0.52) 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