SCHEMBL3147063

SCHEMBL3147063

COc1ccc(-c2cc(OCC3(CNC(=O)O)CC3)cnc2Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.44
FFAR4 Q5NUL3 5/20 0.41
ABL1 P00519 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
EGLN1 Q9GZT9 2/20 0.37
ERCC5 P28715 1/20 0.36
FEN1 P39748 1/20 0.36
PTGER4 P35408 1/20 0.36
MAP4K4 O95819 1/20 0.36
CHEK2 O96017 1/20 0.36
RXFP1 Q9HBX9 1/20 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
SCHEMBL3151015 0.92 FFAR4 (0.40) P2RX7FFAR4CHRNB4CHRNA3CHRNA7
SCHEMBL3146674 0.91 CHRNB4 (0.43) P2RX7FFAR4CHRNB4CHRNA3CHRNA7
SCHEMBL3147012 0.89 FFAR4 (0.44) P2RX7FFAR4CHRNB4CHRNA3CHRNA7
SCHEMBL3137042 0.89 NR3C1 (0.40) P2RX7
SCHEMBL3150641 0.89 P2RX7 (0.40) P2RX7FFAR4ABL1CHRNB4CHRNA3
SCHEMBL3256998 0.89 FFAR4 (0.42) P2RX7FFAR4CHRNB4CHRNA3CHRNA7
SCHEMBL3147051 0.88 FFAR4 (0.38) P2RX7FFAR4CHRNB4CHRNA3CHRNA7
SCHEMBL3147343 0.85 FFAR4 (0.38) P2RX7FFAR4CHRNB4CHRNA3CHRNA7
SCHEMBL3151249 0.85 FFAR4 (0.38) P2RX7FFAR4CHRNB4CHRNA3CHRNA7
SCHEMBL3151266 0.85 FFAR4 (0.38) P2RX7FFAR4CHRNB4CHRNA3CHRNA7

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