SCHEMBL3147209

SCHEMBL3147209

Cc1ncc(OCC2(CNC(=O)O)CC2)cc1-c1ccc(N)cc1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 7/20 0.39
EGLN1 Q9GZT9 5/20 0.35
FFAR4 Q5NUL3 3/20 0.34
CYP4A11 Q02928 3/20 0.34
P2RX7 Q99572 1/20 0.32
CYP4F2 P78329 2/20 0.32
DGAT1 O75907 1/20 0.32

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
SCHEMBL3155882 0.91 FFAR4 (0.36) EGLN1FFAR4CYP4A11CYP4F2
SCHEMBL3147340 0.89 MAP4K4 (0.37) ABL1EGLN1FFAR4P2RX7
SCHEMBL3137015 0.89 ABL1 (0.37) ABL1EGLN1CYP4A11
SCHEMBL3256998 0.88 FFAR4 (0.42) EGLN1FFAR4P2RX7
SCHEMBL3141819 0.87 EGLN1 (0.48) EGLN1
SCHEMBL3147035 0.83 ABL1 (0.34) ABL1FFAR4
Hydrochloric Acid SCHEMBL3781375 0.82 ABL1 (0.34) ABL1
SCHEMBL3147365 0.82 ABL1 (0.37) ABL1
SCHEMBL3772525 0.81 ABL1 (0.34) ABL1FFAR4DGAT1
SCHEMBL3151015 0.81 FFAR4 (0.40) EGLN1FFAR4P2RX7

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