SCHEMBL3389339

SCHEMBL3389339

Fc1ccc(Cc2nc3c(c(C(F)(F)F)n2)CCNC3)cc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 20/20 0.61
HTR2B P41595 14/20 0.61
HTR2A P28223 13/20 0.61
HTR1A P08908 2/20 0.40
DRD2 P14416 2/20 0.40
HTR7 P34969 2/20 0.40
DRD3 P35462 2/20 0.40
HTR6 P50406 2/20 0.40
ADRA1A P35348 1/20 0.38

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 SCHEMBL1262193 0.99 HTR2C (0.60) HTR2CHTR2BHTR2AHTR1ADRD2
SCHEMBL3389240 0.78 HTR2A (0.37) HTR2CHTR2BHTR2A
SCHEMBL3388287 0.78 HTR2C (0.53) HTR2CHTR2BHTR2AHTR1AHTR7
Hydrochloric Acid SCHEMBL1262759 0.77 HTR2A (0.36) HTR2CHTR2BHTR2A
Hydrochloric Acid SCHEMBL1262699 0.77 HTR2A (0.52) HTR2CHTR2BHTR2AHTR1AHTR7
Hydrochloric Acid SCHEMBL1262608 0.76 HTR2A (0.36) HTR2CHTR2BHTR2A
SCHEMBL300642 0.76 HTR2C (1.00) HTR2CHTR2BHTR2AHTR1ADRD2
SCHEMBL3421612 0.75 DPP4 (0.36) HTR2CHTR2BHTR2A
Hydrochloric Acid SCHEMBL183534 0.75 HTR2C (0.98) HTR2CHTR2BHTR2AHTR1ADRD2
Hydrochloric Acid SCHEMBL1262905 0.74 DPP4 (0.36) HTR2CHTR2BHTR2A

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-1863812-B1 DIPEPTIDYL PEPTIDASE-IV INHIBITING COMPOUNDS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG LIFE SCIENCES LTD (KR) 2010-07-14 EP disclosed