SCHEMBL11448306

SCHEMBL11448306

CN1CCCC1CCOc1ccc(SC(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
ESRRG P62508 7/20 0.44
ESR1 P03372 5/20 0.44
PTPRZ1 P23471 1/20 0.44
ESRRB O95718 3/20 0.44
KCNH2 Q12809 2/20 0.44
ESRRA P11474 1/20 0.43

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
SCHEMBL11450110 0.97 SLC2A1 (0.44) SLC2A1HRH3ESRRGESR1PTPRZ1
SCHEMBL11447817 0.86 CHRNB4 (0.49) HRH3
SCHEMBL11449491 0.84 CHRNB4 (0.47) HRH3
SCHEMBL11449200 0.84 SLC2A1 (0.49) SLC2A1HRH3ESRRGESR1ESRRB
SCHEMBL11457965 0.83 CHRNB1 (0.55) SLC2A1HRH3KCNH2
SCHEMBL11459556 0.82 PIM1 (0.47) SLC2A1HRH3ESRRGESR1ESRRB
SCHEMBL11455761 0.82 SLC2A1 (0.47) SLC2A1HRH3ESRRGESR1ESRRB
SCHEMBL11448234 0.81 CHRNB1 (0.52) SLC2A1HRH3ESRRGESR1
SCHEMBL14577979 0.81 SLC2A1 (0.53) SLC2A1HRH3ESRRGESR1ESRRB
SCHEMBL11449436 0.81 LTA4H (0.54) SLC2A1HRH3KCNH2

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
US-4225608-A ANTIDEPRESSANTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1980-09-30 US disclosed