SCHEMBL4021045

SCHEMBL4021045

O=C(O)OC1CC2CCC=CC2N1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
CHRNB3 Q05901 1/20 0.31
CHRNA6 Q15825 1/20 0.31
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL10913961 1.00 CHRNB2 (0.31) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL10588604 0.83 ABAT (0.30)
SCHEMBL9626053 0.83 ABAT (0.30)
SCHEMBL9627515 0.83 ABAT (0.30)
SCHEMBL9626802 0.83 ABAT (0.30)
Hydrochloric Acid SCHEMBL10654764 0.83 MAPT (0.33) LMNATP53TSHRSMN1; SMN2
SCHEMBL10738339 0.75 CYP2D6 (0.45) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL10860229 0.75 CYP2D6 (0.45) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL4021043 0.75 CYP2D6 (0.45) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL10742978 0.75 CYP2D6 (0.45) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6

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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0854140-B1 Vitronectin receptor antagonists, their production and their use SANOFI AVENTIS DEUTSCHLAND (DE) 2013-11-06 EP disclosed
EP-0903353-B1 Imidazolidine derivates, their preparation and use, and pharmaceutical compositions containing them SANOFI AVENTIS DEUTSCHLAND (DE) 2009-11-25 EP disclosed
EP-0820988-B1 Imino derivatives as bone resorption inhibitors and vitronectin receptor antagonists HOECHST AG (DE) 2009-07-01 EP disclosed
EP-0842944-B1 Heterocycles as inhibitors of leukocyte adhesion and as antagonists of VLA-4 HOECHST AG (DE) 2003-07-09 EP disclosed
EP-0918059-B1 Substituted imidazoline derivatives, their preparation, their use, and pharmaceutical compositions containing them AVENTIS PHARMA GMBH (DE) 2003-06-25 EP disclosed
EP-0842943-B1 5-Ring heterocycles as inhibitors of leukocyte adhesion and as VLA-4 antagonists HOECHST AG (DE) 2003-02-26 EP disclosed
EP-0842945-B1 Heterocycles as inhibitors of leukocyte adhesion and as antagonists of VLA-4 HOECHST AG (DE) 2003-02-19 EP disclosed
EP-0739898-B1 Phosphonomonoester nucleic acids, methods for their preparation and their use AVENTIS PHARMA GMBH (DE) 2001-09-26 EP disclosed
EP-1077994-A1 IMIDAZOLIDINE DERIVATIVES, THE PRODUCTION THEREOF, THEIR USE AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME Aventis Pharma Deutschland GmbH (DE) 2001-02-28 EP disclosed
WO-1999060015-A1 IMIDAZOLIDINE DERIVATIVES, THE PRODUCTION THEREOF, THEIR USE AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 1999-11-25 WO disclosed
EP-0475184-A1 Process for the production of peptides by solid phase synthesis HOECHST AKTIENGESELLSCHAFT (DE) 1992-03-18 EP disclosed
EP-0455133-A2 Peptide antagonists of bradykinin HOECHST AKTIENGESELLSCHAFT (DE) 1991-11-06 EP disclosed
EP-0449079-A2 Hydantoin derivative HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-02 EP disclosed
EP-0435059-A1 Retroviral protease inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1991-07-03 EP disclosed
EP-0428849-A2 Retroviral protease inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1991-05-29 EP disclosed
EP-0413277-A1 Peptide antagonists of bradykinin HOECHST AKTIENGESELLSCHAFT (DE) 1991-02-20 EP disclosed
EP-0115345-B1 PROCESS FOR THE RESOLUTION OF RACEMIC OPTICALLY ACTIVE BICYCLIC IMINO-ALPHA-CARBOXYLIC ACID ESTERS AND USE OF THE COMPOUNDS OBTAINABLE IN THIS WAY FOR THE SYNTHESIS OF CARBOXYALKYL DIPEPTIDES HOECHST AKTIENGESELLSCHAFT (DE) 1988-01-07 EP disclosed
EP-0117447-B1 CYCLIC PEPTIDES WITH SOMATOSTATIN ACTIVITY HOECHST AKTIENGESELLSCHAFT (DE) 1987-12-09 EP disclosed
EP-0117447-A1 Cyclic peptides with somatostatin activity HOECHST AKTIENGESELLSCHAFT (DE) 1984-09-05 EP disclosed
EP-0115345-A1 Process for the resolution of racemic optically active bicyclic imino-alpha-carboxylic acid esters and use of the compounds obtainable in this way for the synthesis of carboxyalkyl dipeptides HOECHST AKTIENGESELLSCHAFT (DE) 1984-08-08 EP disclosed