SCHEMBL5246205

SCHEMBL5246205

CCNC(=O)OCC(C)NC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.53
CHRNB2 P17787 2/20 0.47
CHRNB4 P30926 2/20 0.47
CHRNA3 P32297 2/20 0.47
CHRNA4 P43681 2/20 0.47
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALOX15 P16050 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
EPHX1 P07099 1/20 0.35
ACHE P22303 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL5244941 0.84 SMN1; SMN2 (0.53) SMN1; SMN2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5246251 0.82 ACHE (0.59) ALDH1A1ALOX15EPHX1ACHELMNA
SCHEMBL12107388 0.81 SMN1; SMN2 (0.58) SMN1; SMN2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL965401 0.81 SMN1; SMN2 (0.73) SMN1; SMN2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5246616 0.81 CHRNB2 (0.46) SMN1; SMN2CHRNB2CHRNA4ALDH1A1PSEN1
SCHEMBL5247558 0.79 SMN1; SMN2 (0.56) SMN1; SMN2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL13681838 0.79 SMN1; SMN2 (0.56) SMN1; SMN2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL13224979 0.78 SMN1; SMN2 (0.59) SMN1; SMN2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL12787697 0.78 SMN1; SMN2 (0.54) SMN1; SMN2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL17807372 0.77 SMN1; SMN2 (0.53) SMN1; SMN2CHRNB2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379598-B1 UNSATURATED COMPOUNDS CONTAINING CARBAMATE TERMINAL GROUPS OR UREA TERMINAL GROUPS BASF AG (DE) 2007-09-12 EP disclosed
US-6916854-B2 Heat and/or light curable films or coatings comprising polyurethanes or polyureaurethane copolymers having storage stability, used as automobile paints BASF AKTIENGESELLSCHAFT (DE) 2005-07-12 US disclosed
US-20040097642-A1 Unsaturated compounds containing carbamate terminal groups or urea terminal groups BASF AKTIENGESELLSCHAFT (DE) 2004-05-20 US disclosed