SCHEMBL3150890

SCHEMBL3150890

CNC1(COc2cncc(-c3cc(Cl)ccc3Cl)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
INPPL1 O15357 6/20 0.46
CHRNB1 P11230 2/20 0.43
CHRNB2 P17787 2/20 0.43
CHRNB4 P30926 2/20 0.43
CHRNA3 P32297 2/20 0.43
CHRNB3 Q05901 2/20 0.43
LRRK2 Q5S007 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
SCHEMBL3145280 0.86 CHRNB1 (0.49) INPPL1CHRNB1CHRNB2CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL3151937 0.85 CHRNB1 (0.48) INPPL1CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL3147306 0.83 INPPL1 (0.43) INPPL1CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL3137034 0.83 INPPL1 (0.41) INPPL1CHRNB1CHRNB2CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL3781503 0.82 LRRK2 (0.37) INPPL1CHRNB4CHRNA3LRRK2
SCHEMBL3143138 0.82 INPPL1 (0.39) INPPL1LRRK2
SCHEMBL3137171 0.80 CHRNB1 (0.36) INPPL1CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL3145422 0.80 INPPL1 (0.43) INPPL1CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL3145479 0.80 CHRNB2 (0.51) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL3147229 0.79 CHRNB2 (0.49) INPPL1CHRNB1CHRNB2CHRNB4CHRNA3

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