SCHEMBL3393508

SCHEMBL3393508

COCCc1nc2c(c(C(F)(F)F)n1)CCNC2

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.38
HTR2C P28335 4/20 0.33
HTR2A P28223 3/20 0.33
HTR2B P41595 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 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 SCHEMBL1262187 0.99 DPP4 (0.37) DPP4HTR2CHTR2AHTR2BSMN1; SMN2
SCHEMBL3421612 0.85 DPP4 (0.36) DPP4HTR2CHTR2AHTR2BSMN1; SMN2
Hydrochloric Acid SCHEMBL1262905 0.84 DPP4 (0.36) DPP4HTR2CHTR2AHTR2BSMN1; SMN2
Hydrochloric Acid SCHEMBL1262608 0.81 HTR2A (0.36) HTR2CHTR2AHTR2BSMN1; SMN2L3MBTL1
SCHEMBL3389240 0.80 HTR2A (0.37) HTR2CHTR2AHTR2BSMN1; SMN2L3MBTL1
Hydrochloric Acid SCHEMBL1262759 0.79 HTR2A (0.36) HTR2CHTR2AHTR2BSMN1; SMN2L3MBTL1
Hydrochloric Acid SCHEMBL1262892 0.75 HTR2A (0.34) HTR2CHTR2AHTR2B
SCHEMBL1970467 0.74 HTR2A (0.36) HTR2CHTR2AHTR2BSMN1; SMN2L3MBTL1
Hydrochloric Acid SCHEMBL1262763 0.73 HTR2A (0.35) HTR2CHTR2AHTR2BSMN1; SMN2L3MBTL1
SCHEMBL1967719 0.72 HTR2A (0.34) DPP4HTR2CHTR2AHTR2BSMN1; SMN2

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 4 patents. 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
EP-1863812-A4 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) 2009-06-24 EP disclosed
EP-1863812-A1 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) 2007-12-12 EP disclosed
WO-2006104356-A1 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) 2006-10-05 WO disclosed