SCHEMBL3260960

SCHEMBL3260960

Cc1ncc(OCC2(CNC(=O)O)CC2)cc1-c1cccc(C#N)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 6/20 0.40
F11 P03951 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.38
MCHR1 Q99705 2/20 0.38
DGAT2 Q96PD7 1/20 0.38
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
CYP1A2 P05177 4/20 0.37
CYP3A4 P08684 4/20 0.37
TSHR P16473 2/20 0.37
USP2 O75604 2/20 0.37
ALDH1A1 P00352 2/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
PDE4D Q08499 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
PIN1 Q13526 1/20 0.36
CYP2D6 P10635 3/20 0.36
CYP2C19 P33261 3/20 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
SCHEMBL3151348 0.93 EGLN1 (0.39) EGLN1F11PTGDR2MCHR1DGAT2
SCHEMBL3141819 0.89 EGLN1 (0.48) EGLN1
SCHEMBL3137015 0.85 ABL1 (0.37) EGLN1ALDH1A1KDM4E
SCHEMBL3137106 0.85 EGLN1 (0.44) EGLN1F11MCHR1HRH2HRH1
SCHEMBL3770733 0.83 SLC22A12 (0.38) EGLN1F11PTGDR2HRH2HRH1
SCHEMBL3138314 0.82 EGLN1 (0.46) EGLN1
SCHEMBL3770731 0.81 SLC22A12 (0.38) EGLN1F11PTGDR2HRH2HRH1
SCHEMBL3260962 0.81 PTGDR2 (0.38) EGLN1F11PTGDR2HRH2HRH1
SCHEMBL3147209 0.80 ABL1 (0.39) EGLN1
SCHEMBL3137179 0.80 CYP1A2 (0.40) CYP1A2CYP3A4TSHRUSP2ALDH1A1

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-1979321-B9 NOVEL PYRIDINYLAMINOALKYLENE- AND PYRIDINYLOXYALKYLENE-CYCLOPROPANAMINES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2010-02-17 EP disclosed
EP-1979321-B1 NOVEL PYRIDINYLAMINOALKYLENE- AND PYRIDINYLOXYALKYLENE-CYCLOPROPANAMINES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2009-07-29 EP disclosed