SCHEMBL3147343

SCHEMBL3147343

O=C(O)NCC1(COc2cnc(Cl)c(-c3ccc(N=C=S)cc3)c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 5/20 0.38
P2RX7 Q99572 2/20 0.34
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
EGLN1 Q9GZT9 2/20 0.32
NAAA Q02083 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
SCHEMBL3146674 0.86 CHRNB4 (0.43) FFAR4P2RX7CHRNB4CHRNA3CHRNA7
SCHEMBL3147063 0.85 P2RX7 (0.44) FFAR4P2RX7CHRNB4CHRNA3CHRNA7
SCHEMBL3151015 0.85 FFAR4 (0.40) FFAR4P2RX7CHRNB4CHRNA3CHRNA7
SCHEMBL3147012 0.85 FFAR4 (0.44) FFAR4P2RX7CHRNB4CHRNA3CHRNA7
SCHEMBL3150641 0.84 P2RX7 (0.40) FFAR4P2RX7CHRNB4CHRNA3CHRNA7
SCHEMBL3256998 0.84 FFAR4 (0.42) FFAR4P2RX7CHRNB4CHRNA3CHRNA7
SCHEMBL3147051 0.83 FFAR4 (0.38) FFAR4P2RX7CHRNB4CHRNA3CHRNA7
SCHEMBL3151376 0.83 CHRNB4 (0.36) FFAR4CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL3783413 0.82 CHRNB4 (0.35) FFAR4CHRNB4CHRNA3CHRNA7
SCHEMBL3772974 0.81 FFAR4 (0.36) FFAR4CHRNB4CHRNA3CHRNA7

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