SCHEMBL3150657

SCHEMBL3150657

CNC1(COc2cncc(-c3ccc(C#N)cc3)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.43
CYP11B2 P19099 3/20 0.43
XDH P47989 1/20 0.43
AKT1 P31749 1/20 0.42
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 1/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
ALPL P05186 1/20 0.39
KCNH2 Q12809 1/20 0.38
SCN10A Q9Y5Y9 1/20 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

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 SCHEMBL3781163 0.99 CYP11B1 (0.42) CYP11B1CYP11B2XDHAKT1CHRNB2
SCHEMBL3137112 0.87 GABRG2 (0.44) CYP11B1CYP11B2CHRNB2CHRNA4PRMT5
Hydrochloric Acid SCHEMBL3772099 0.86 GABRG2 (0.46) CYP11B1CYP11B2CHRNB2CHRNA4PRMT5
SCHEMBL3141790 0.85 CHRNB2 (0.48) CYP11B1CYP11B2XDHCHRNB2CHRNA4
SCHEMBL3145280 0.84 CHRNB1 (0.49) CYP11B1CYP11B2AKT1CHRNB2KCNH2
SCHEMBL3151157 0.84 CHRNB1 (0.49) CYP11B1CYP11B2CHRNB2CHRNB1CHRNB4
SCHEMBL3150922 0.84 CHRNB1 (0.49) CYP11B1CYP11B2AKT1CHRNB2CHRNB1
Hydrochloric Acid SCHEMBL3773084 0.84 CHRNB2 (0.47) CYP11B1CYP11B2XDHCHRNB2CHRNA4
SCHEMBL3147229 0.84 CHRNB2 (0.49) CYP11B1CYP11B2CHRNB2CHRNA4CHRNB1
Hydrochloric Acid SCHEMBL3151937 0.83 CHRNB1 (0.48) CYP11B1CYP11B2AKT1CHRNB2KCNH2

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 4 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
EP-1979321-A1 NOVEL PYRIDINYLAMINOALKYLENE- AND PYRIDINYLOXYALKYLENE-CYCLOPROPANAMINES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Les Laboratoires Servier (FR) 2008-10-15 EP disclosed
WO-2007085750-A1 NOVEL PYRIDINYLAMINOALKYLENE- AND PYRIDINYLOXYALKYLENE-CYCLOPROPANAMINES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2007-08-02 WO disclosed