SCHEMBL9937405

SCHEMBL9937405

O=C(O)CCCN1CCNCCN(CCCC(=O)O)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.62
CYP1A2 P05177 1/20 0.62
MAPK1 P28482 1/20 0.62
CXCR4 P61073 2/20 0.47
SIGMAR1 Q99720 1/20 0.44
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
LMNA P02545 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42
GLA P06280 1/20 0.41
ITGB3 P05106 3/20 0.41
ITGA2B P08514 3/20 0.41
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40

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
SCHEMBL1494479 0.98 SMN1; SMN2 (0.64) SMN1; SMN2CYP1A2MAPK1CXCR4SIGMAR1
Hydrochloric Acid SCHEMBL27554302 0.96 SMN1; SMN2 (0.62) SMN1; SMN2CYP1A2MAPK1CXCR4SIGMAR1
SCHEMBL3777682 0.96 SMN1; SMN2 (0.62) SMN1; SMN2CYP1A2MAPK1CXCR4SIGMAR1
SCHEMBL25212790 0.93 CYP1A2 (0.55) SMN1; SMN2CYP1A2MAPK1CXCR4SIGMAR1
SCHEMBL5865021 0.92 CYP1A2 (0.57) SMN1; SMN2CYP1A2MAPK1CXCR4SIGMAR1
SCHEMBL27793739 0.92 CYP1A2 (0.57) SMN1; SMN2CYP1A2MAPK1CXCR4SIGMAR1
SCHEMBL5015980 0.91 CYP1A2 (0.53) SMN1; SMN2CYP1A2MAPK1CXCR4SIGMAR1
SCHEMBL9154884 0.90 CYP1A2 (0.55) SMN1; SMN2CYP1A2MAPK1CXCR4SIGMAR1
SCHEMBL21727957 0.90 CYP1A2 (0.55) SMN1; SMN2CYP1A2MAPK1CXCR4SIGMAR1
SCHEMBL11429662 0.90 CYP1A2 (0.55) SMN1; SMN2CYP1A2MAPK1CXCR4SIGMAR1

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-2651411-A2 METHODS AND COMPOSITIONS FOR IMPROVED F-18 LABELING OF PROTEINS, PEPTIDES AND OTHER MOLECULES Immunomedics, Inc. (US) 2013-10-23 EP claimed
WO-2012082618-A2 METHODS AND COMPOSITIONS FOR IMPROVED F-18 LABELING OF PROTEINS, PEPTIDES AND OTHER MOLECULES IMMUNOMEDICS, INC. (US) 2012-06-21 WO claimed