SCHEMBL3394063

SCHEMBL3394063

FC(F)(F)c1nc(C(F)(F)C(F)(F)F)nc2c1CCNC2

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ADRB2 P07550 1/20 0.31
HTR1B P28222 1/20 0.31

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 SCHEMBL1261366 0.98 HTR2A (0.32) HTR2AHTR2CHTR2BSMN1; SMN2L3MBTL1
SCHEMBL1967719 0.89 HTR2A (0.34) HTR2AHTR2CHTR2BSMN1; SMN2L3MBTL1
Hydrochloric Acid SCHEMBL1261973 0.87 HTR2A (0.33) HTR2AHTR2CHTR2BSMN1; SMN2L3MBTL1
SCHEMBL8257616 0.84 HTR2A (0.46) HTR2AHTR2CHTR2BSMN1; SMN2L3MBTL1
Hydrochloric Acid SCHEMBL1263416 0.83 HTR2A (0.45) HTR2AHTR2CHTR2BSMN1; SMN2L3MBTL1
SCHEMBL1970467 0.78 HTR2A (0.36) HTR2AHTR2CHTR2BSMN1; SMN2L3MBTL1
Hydrochloric Acid SCHEMBL1262763 0.76 HTR2A (0.35) HTR2AHTR2CHTR2BSMN1; SMN2L3MBTL1
SCHEMBL3389240 0.75 HTR2A (0.37) HTR2AHTR2CHTR2BSMN1; SMN2L3MBTL1
SCHEMBL3391305 0.74 HTR2C (0.44) HTR2AHTR2CHTR2BSMN1; SMN2L3MBTL1
Hydrochloric Acid SCHEMBL1262759 0.74 HTR2A (0.36) HTR2AHTR2CHTR2BSMN1; SMN2L3MBTL1

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