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Sugi Predict / Compounds / SCHEMBL15361908

SCHEMBL15361908

SCHEMBL15361908

CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1N1CCNCC1C(=O)CN1C(=O)NC(C)(c2ccc3occc3c2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 20/20 0.44
▸ NR1H3 Q13133 20/20 0.44

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
SCHEMBL105411 0.85 NR1H2 (0.45) NR1H2NR1H3
SCHEMBL3598714 0.85 NR1H2 (0.45) NR1H2NR1H3
SCHEMBL104923 0.85 GAA (0.48) NR1H2NR1H3
SCHEMBL107729 0.80 NR1H2 (0.45) NR1H2NR1H3
SCHEMBL3603510 0.80 NR1H2 (0.45) NR1H2NR1H3
SCHEMBL106895 0.79 GAA (0.48) NR1H2NR1H3
SCHEMBL106835 0.75 NR1H3 (0.43) NR1H2NR1H3
SCHEMBL3602787 0.75 NR1H3 (0.43) NR1H2NR1H3
SCHEMBL104451 0.74 NR1H3 (0.45) NR1H2NR1H3
SCHEMBL17844221 0.72 NR1H2 (0.58) 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-B1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER KOWA CO (JP) 2013-11-06 — — EP disclosed