SCHEMBL20342103

SCHEMBL20342103

CC(=O)C[C@@H]1CCCN(C)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
GFER P55789 1/20 0.43
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
KCNH2 Q12809 3/20 0.36
CHRM2 P08172 2/20 0.36
ADRA2A P08913 2/20 0.36
CHRM1 P11229 2/20 0.36
DRD1 P21728 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
ADRA1A P35348 2/20 0.36
OPRM1 P35372 2/20 0.36
DRD3 P35462 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
CYP2D6 P10635 2/20 0.36
ABCB11 O95342 1/20 0.36
CHRM4 P08173 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
SCHEMBL13909132 1.00 SMN1; SMN2 (0.44) SMN1; SMN2GFERCHRNB2CHRNB4CHRNA3
SCHEMBL19544449 1.00 SMN1; SMN2 (0.44) SMN1; SMN2GFERCHRNB2CHRNB4CHRNA3
SCHEMBL12309780 0.88 NCF1 (0.41) SMN1; SMN2GFERCHRM3
SCHEMBL2607208 0.86 SMN1; SMN2 (0.45) SMN1; SMN2GFERCHRNB2CHRNB4CHRNA3
SCHEMBL15142807 0.86 SMN1; SMN2 (0.45) SMN1; SMN2GFERCHRNB2CHRNB4CHRNA3
SCHEMBL15142809 0.86 SMN1; SMN2 (0.45) SMN1; SMN2GFERCHRNB2CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL2007871 0.84 SMN1; SMN2 (0.47) SMN1; SMN2GFERCHRNB2CHRNB4CHRNA3
SCHEMBL11666183 0.82 SMN1; SMN2 (0.42) SMN1; SMN2GFERCHRNB2CHRNB4CHRNA3
SCHEMBL19544412 0.82 SMN1; SMN2 (0.42) SMN1; SMN2GFERCHRNB2CHRNB4CHRNA3
SCHEMBL15171758 0.81 SMN1; SMN2 (0.45) SMN1; SMN2GFERCHRNB2CHRNB4CHRNA3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3405477-B1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2023-06-07 EP disclosed
EP-3925667-A1 SELECTIVE TMPRSS2 INHIBITORS AND MEDICAL USE THEREOF Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2021-12-22 EP disclosed
WO-2019201432-A1 INHIBITORS OF BLOOD COAGULATION FACTOR XIII ZEDIRA GMBH (DE) 2019-10-24 WO disclosed
WO-2019202052-A1 INHIBITORS OF BLOOD COAGULATION FACTOR XIII ZEDIRA GMBH (DE) 2019-10-24 WO disclosed
WO-2018122419-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2018-07-05 WO disclosed
EP-3342779-A1 INHIBITORS OF TRANSGLUTAMINASES Zedira GmbH (DE) 2018-07-04 EP disclosed