SCHEMBL18632

SCHEMBL18632

CC[C@H]1CNCCN1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GCKR Q14397 9/20 0.49
SLC6A2 P23975 7/20 0.43
SLC6A4 P31645 7/20 0.43
SLC6A3 Q01959 7/20 0.43
NR1I2 O75469 1/20 0.41
RORC P51449 1/20 0.41
NR1H2 P55055 3/20 0.40
NR1H3 Q13133 3/20 0.40
CYP2D6 P10635 5/20 0.39

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
Hydrochloric Acid SCHEMBL12079572 0.99 GCKR (0.48) GCKRSLC6A2SLC6A4SLC6A3NR1I2
SCHEMBL12089485 0.85 SLC6A2 (0.46) GCKRSLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL18202 0.83 GCKR (0.47) GCKRNR1I2RORCNR1H2NR1H3
SCHEMBL19294 0.83 GCKR (0.47) GCKRNR1I2RORCNR1H2NR1H3
Hydrochloric Acid SCHEMBL12078148 0.82 GCKR (0.46) GCKRNR1I2RORCNR1H2NR1H3
Hydrochloric Acid SCHEMBL16350 0.82 GCKR (0.46) GCKRNR1I2RORCNR1H2NR1H3
Hydrochloric Acid SCHEMBL16351 0.82 GCKR (0.46) GCKRNR1I2RORCNR1H2NR1H3
Hydrochloric Acid SCHEMBL12078152 0.82 GCKR (0.46) GCKRNR1I2RORCNR1H2NR1H3
SCHEMBL5631142 0.79 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL5632263 0.79 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3CYP2D6

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
WO-2012027261-A1 SULFONYLPIPERAZINE DERIVATIVES THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES AMGEN INC. (US) 2012-03-01 WO disclosed