SCHEMBL3137048

SCHEMBL3137048

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.40
PRMT5 O14744 2/20 0.39
WDR77 Q9BQA1 2/20 0.39
AKT1 P31749 3/20 0.39
TAAR1 Q96RJ0 2/20 0.38
CHRNB2 P17787 2/20 0.38
CHRNB1 P11230 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNB3 Q05901 1/20 0.38
FYN P06241 1/20 0.38
CHRNA4 P43681 1/20 0.38
CYP11B1 P15538 4/20 0.37
BACE1 P56817 1/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
CLK2 P49760 2/20 0.36
CDC7 O00311 1/20 0.36
DAPK3 O43293 1/20 0.36
DYRK3 O43781 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
Hydrochloric Acid SCHEMBL3773098 0.99 CYP11B2 (0.39) CYP11B2PRMT5WDR77AKT1TAAR1
SCHEMBL3143079 0.86 CHRNB2 (0.51) CYP11B2CHRNB2CHRNB1CHRNB4CHRNA3
SCHEMBL3137136 0.86 CHRNB2 (0.47) CYP11B2PRMT5WDR77AKT1CHRNB2
Hydrochloric Acid SCHEMBL3770692 0.85 CHRNB2 (0.50) CYP11B2CHRNB2CHRNB1CHRNB4CHRNA3
SCHEMBL3147299 0.85 INPPL1 (0.40) CYP11B2PRMT5WDR77AKT1TAAR1
SCHEMBL3142728 0.85 CHRNB2 (0.40) CYP11B2AKT1CHRNB2CHRNB1CHRNB4
SCHEMBL3150638 0.85 CYP11B1 (0.47) CYP11B2PRMT5WDR77CHRNB2CHRNB1
Hydrochloric Acid SCHEMBL3780020 0.85 CHRNB2 (0.46) CYP11B2PRMT5WDR77AKT1CHRNB2
Hydrochloric Acid SCHEMBL3780122 0.84 CHRNB2 (0.40) CYP11B2AKT1CHRNB2CHRNB1CHRNB4
Hydrochloric Acid SCHEMBL3147286 0.84 CYP11B1 (0.46) CYP11B2PRMT5WDR77CHRNB2CHRNB1

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