Sugi Predict

Sugi Predict / Compounds / SCHEMBL171113

SCHEMBL171113

SCHEMBL171113

CCCc1cc(N2CCN(CCN3C(=O)NC(C)(c4ccc(OC(C)C)cc4)C3=O)CC2)ncc1C(N=O)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 20/20 0.52
▸ NR1H3 Q13133 15/20 0.52

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
SCHEMBL103779 0.90 NR1H2 (0.61) NR1H2NR1H3
SCHEMBL3595626 0.85 NR1H2 (0.49) NR1H2NR1H3
SCHEMBL15369654 0.78 NR1H2 (0.48) NR1H2NR1H3
SCHEMBL101851 0.78 NR1H2 (0.49) NR1H2NR1H3
SCHEMBL103788 0.77 NR1H2 (0.68) NR1H2NR1H3
SCHEMBL103650 0.75 NR1H2 (0.54) NR1H2NR1H3
SCHEMBL103980 0.73 NR1H2 (0.52) NR1H2NR1H3
SCHEMBL542845 0.69 NR1H2 (0.95) NR1H2NR1H3
SCHEMBL542269 0.69 NR1H2 (1.00) NR1H2NR1H3
SCHEMBL13444068 0.69 NR1H2 (0.81) 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