SCHEMBL3147299

SCHEMBL3147299

NCC1(COc2cncc(-c3cccc(Cl)c3)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INPPL1 O15357 3/20 0.40
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
CDC7 O00311 1/20 0.39
PLK4 O00444 1/20 0.39
CHEK1 O14757 1/20 0.39
AURKA O14965 1/20 0.39
DCLK1 O15075 1/20 0.39
MAPK13 O15264 1/20 0.39
PDPK1 O15530 1/20 0.39
DAPK3 O43293 1/20 0.39
DYRK3 O43781 1/20 0.39
JAK2 O60674 1/20 0.39
RPS6KA5 O75582 1/20 0.39
PRKD3 O94806 1/20 0.39
PAK4 O96013 1/20 0.39
CHEK2 O96017 1/20 0.39
PRKCG P05129 1/20 0.39
INSR P06213 1/20 0.39
CDK1 P06493 1/20 0.39

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 SCHEMBL3768488 0.99 INPPL1 (0.40) INPPL1PRMT5WDR77CDC7PLK4
SCHEMBL3137026 0.87 INPPL1 (0.38) INPPL1CHEK1AKT1CHRNB2CHRNB1
SCHEMBL3143079 0.86 CHRNB2 (0.51) AXLMKNK2CHRNB2CHRNB1CHRNB4
Hydrochloric Acid SCHEMBL3770803 0.86 INPPL1 (0.38) INPPL1CHEK1AKT1CHRNB2CHRNB1
SCHEMBL3145265 0.86 CHRNB2 (0.47) INPPL1PRMT5WDR77AKT1CHRNB2
SCHEMBL3142728 0.85 CHRNB2 (0.40) CDC7DAPK3DYRK3RPS6KA5PRKD3
SCHEMBL3150638 0.85 CYP11B1 (0.47) PRMT5WDR77CHRNB2CHRNB1CHRNB4
SCHEMBL3137048 0.85 CYP11B2 (0.40) PRMT5WDR77CDC7DAPK3DYRK3
Hydrochloric Acid SCHEMBL3770692 0.85 CHRNB2 (0.50) AXLMKNK2CHRNB2CHRNB1CHRNB4
Hydrochloric Acid SCHEMBL3146592 0.85 CHRNB2 (0.46) INPPL1PRMT5WDR77AKT1CHRNB2

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