SCHEMBL9189999

SCHEMBL9189999

O=C(C1NCCCC1O)N1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
DPP4 P27487 7/20 0.39
DPP8 Q6V1X1 2/20 0.39
DPP9 Q86TI2 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ADAM10 O14672 1/20 0.37
ERBB2 P04626 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
CHRNB3 Q05901 1/20 0.37
CHRNA6 Q15825 1/20 0.37
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
FAP Q12884 1/20 0.35
DPP7 Q9UHL4 1/20 0.35

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
SCHEMBL4459733 0.75 HRH3 (0.45)
SCHEMBL488953 0.75 DPP4 (0.64) HPGDDPP4DPP8DPP9L3MBTL1
SCHEMBL1383434 0.75 DPP4 (0.64) HPGDDPP4DPP8DPP9L3MBTL1
SCHEMBL488954 0.75 DPP4 (0.64) HPGDDPP4DPP8DPP9L3MBTL1
SCHEMBL351910 0.74 MEN1 (0.63) MEN1BLMKMT2ATSHR
SCHEMBL17943259 0.74 MEN1 (0.63) MEN1BLMKMT2ATSHR
SCHEMBL2964298 0.74 MEN1 (0.63) MEN1BLMKMT2ATSHR
SCHEMBL2964302 0.74 MEN1 (0.63) MEN1BLMKMT2ATSHR
SCHEMBL12909421 0.74 MEN1 (0.63) MEN1BLMKMT2ATSHR
SCHEMBL3260294 0.74 MEN1 (0.63) MEN1BLMKMT2ATSHR

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-0361791-B1 Azacyclic derivatives useful as medicaments SMITHKLINE BEECHAM FARMA (IT) 1995-11-08 EP disclosed
US-5089507-A Also diuretic; long lasting, side effect reduction DR. L. ZAMBELETTI SPA (IT) 1992-02-18 US disclosed
EP-0447704-A1 N-Acylated azacyclic compounds, processes for their preparations and their use as medications Smithkline Beecham Farmaceutici S.p.A. (IT) 1991-09-25 EP disclosed
EP-0361791-A2 Azacyclic derivatives useful as medicaments Smithkline Beecham Farmaceutici S.p.A. (IT) 1990-04-04 EP disclosed