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Sugi Predict / Compounds / SCHEMBL106165

SCHEMBL106165

SCHEMBL106165

CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1N1C[C@@H](C)N(C(=O)CN2C(=O)N[C@@](C)(c3ccc(OC(C)C)cc3)C2=O)CC1C

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 20/20 0.64
▸ NR1H3 Q13133 15/20 0.64

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
SCHEMBL13031360 1.00 NR1H2 (0.64) NR1H2NR1H3
SCHEMBL16579073 1.00 NR1H2 (0.64) NR1H2NR1H3
SCHEMBL107816 1.00 NR1H2 (0.64) NR1H2NR1H3
SCHEMBL15295480 1.00 NR1H2 (0.64) NR1H2NR1H3
SCHEMBL15295505 1.00 NR1H2 (0.64) NR1H2NR1H3
SCHEMBL16579065 1.00 NR1H2 (0.64) NR1H2NR1H3
SCHEMBL16579069 0.93 NR1H2 (0.55) NR1H2NR1H3
SCHEMBL106194 0.93 NR1H2 (0.55) NR1H2NR1H3
SCHEMBL3604166 0.93 NR1H2 (0.55) NR1H2NR1H3
SCHEMBL3643024 0.93 NR1H2 (0.55) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8551985-B2 Carbinol derivatives having heterocyclic linker KOWA COMPANY, LTD. (JP) 2013-10-08 — — US claimed
EP-2426113-B1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER KOWA CO (JP) 2013-11-06 — — EP disclosed
EP-2426113-A1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER Kowa Company, Ltd. (JP) 2012-03-07 — — EP disclosed