SCHEMBL3137109

SCHEMBL3137109

CN(C(=O)O)C1(COc2cncc(-c3cccc(C#N)c3)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.40
EGLN1 Q9GZT9 2/20 0.40
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
GABRA5 P31644 2/20 0.40
GABRA3 P34903 2/20 0.40
BRD4 O60885 1/20 0.39
BRD2 P25440 1/20 0.39
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
PDE4D Q08499 3/20 0.38
OPRM1 P35372 1/20 0.37
OPRL1 P41146 1/20 0.37
CYP11B1 P15538 1/20 0.37
ABL1 P00519 1/20 0.36
CTSA P10619 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 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
SCHEMBL3146059 0.89 XDH (0.43) CYP11B2EGLN1CHRNB2CHRNA4CYP11B1
SCHEMBL3146952 0.86 CHRNB2 (0.44) CYP11B2CHRNB2CHRNA4CYP11B1
SCHEMBL3137070 0.86 XDH (0.43) EGLN1CHRNB2CHRNA4
SCHEMBL3151919 0.86 CYP11B1 (0.42) CYP11B2EGLN1BRD4CYP11B1
SCHEMBL3141913 0.85 XDH (0.42) EGLN1
SCHEMBL3154857 0.85 CHRNB2 (0.47) CHRNB2CHRNA4ABL1
SCHEMBL3151351 0.85 PTGDR2 (0.38) EGLN1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3260962 0.85 PTGDR2 (0.38) EGLN1HRH2HRH1PDE4DOPRM1
SCHEMBL3137093 0.82 CHRNB2 (0.52) CYP11B2CHRNB2CHRNA4CYP11B1
SCHEMBL3145816 0.82 AKT1 (0.47) CYP11B2CYP11B1

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