SCHEMBL25052

SCHEMBL25052

CC(O)(c1ccc(N2CCNCC2)c(Br)c1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.42
ADRB2 P07550 2/20 0.40
NCF1 P14598 1/20 0.40
ADRB1 P08588 3/20 0.39
HTR3A P46098 4/20 0.38
HTR3E A5X5Y0 2/20 0.38
HTR3B O95264 2/20 0.38
HTR3D Q70Z44 2/20 0.38
HTR3C Q8WXA8 2/20 0.38
HTR2C P28335 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HTR1D P28221 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
HTR1A P08908 2/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
ADRA2A P08913 1/20 0.36
AXL P30530 1/20 0.36

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
SCHEMBL113927 0.84 ADRB2 (0.55) HTR6ADRB2NCF1ADRB1HTR3A
SCHEMBL17675 0.78 ADRB1 (0.51) ADRB2NCF1ADRB1HTR3AHTR3E
SCHEMBL16164 0.77 MAPT (0.46) ALDH1A1MAPT
Hydrochloric Acid SCHEMBL16844 0.77 ADRB1 (0.50) ADRB2NCF1ADRB1HTR3AHTR3E
SCHEMBL7821730 0.72 HTR6 (0.51) HTR6HTR3AHTR2CHTR1DHTR1A
SCHEMBL8707862 0.72 HTR6 (0.54) HTR6NCF1ADRB1HTR3AHTR3E
SCHEMBL3919469 0.72 ADRB2 (0.55) HTR6ADRB2NCF1ADRB1HTR3A
Hydrochloric Acid SCHEMBL5987357 0.71 HTR6 (0.50) HTR6HTR3AHTR2CALDH1A1HTR1D
SCHEMBL24746308 0.71 HSD11B1 (0.44)
SCHEMBL20934590 0.71 HSD11B1 (0.43)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2609081-A1 SULFONYLPIPERAZINE DERIVATIVES THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES Amgen Inc. (US) 2013-07-03 EP disclosed
WO-2012027261-A1 SULFONYLPIPERAZINE DERIVATIVES THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES AMGEN INC. (US) 2012-03-01 WO disclosed