SCHEMBL3141396

SCHEMBL3141396

CNC1(COc2cnc(Cl)c(-c3ccc(O)cc3)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41
FFAR4 Q5NUL3 1/20 0.37

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 SCHEMBL3770801 0.99 CHRNB4 (0.40) CHRNB4CHRNA3CHRNA7FFAR4
SCHEMBL3146643 0.89 CHRNB4 (0.40) CHRNB4CHRNA3CHRNA7FFAR4
Hydrochloric Acid SCHEMBL3843131 0.88 CHRNB4 (0.40) CHRNB4CHRNA3CHRNA7FFAR4
SCHEMBL3155954 0.88 FFAR4 (0.40) CHRNB4CHRNA3CHRNA7FFAR4
Hydrochloric Acid SCHEMBL3138447 0.87 CHRNB4 (0.40) CHRNB4CHRNA3CHRNA7FFAR4
Hydrochloric Acid SCHEMBL3767952 0.87 CHRNB4 (0.40) CHRNB4CHRNA3CHRNA7FFAR4
SCHEMBL3145932 0.87 CHRNB4 (0.39) CHRNB4CHRNA3CHRNA7
SCHEMBL3137115 0.86 FFAR4 (0.41) CHRNB4CHRNA3CHRNA7FFAR4
SCHEMBL3143075 0.85 CHEK2 (0.39) CHRNB4CHRNA3CHRNA7FFAR4
Hydrochloric Acid SCHEMBL3138455 0.85 FFAR4 (0.40) CHRNB4CHRNA3CHRNA7FFAR4

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