SCHEMBL5246131

SCHEMBL5246131

CCC(CNC)(CNC)COC(=O)NC

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.40
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 2/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CYP2D6 P10635 1/20 0.37
CHRM1 P11229 1/20 0.37
NFKB1 P19838 1/20 0.37
CHRM3 P20309 1/20 0.37
MAPK1 P28482 1/20 0.37
CHRNA7 P36544 1/20 0.37
LMNA P02545 1/20 0.36
APEX1 P27695 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
THRB P10828 1/20 0.32

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
SCHEMBL5246923 0.90 CHRNB2 (0.41) EPHX1CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL29335439 0.90 CHRNB2 (0.41) EPHX1CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL12845028 0.88 EPHX1 (0.45) EPHX1CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL5247092 0.85 EPHX1 (0.38) EPHX1CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL5244120 0.85 MEN1 (0.37) EPHX1CHRNB2CHRNA4SMN1; SMN2THRB
SCHEMBL5247448 0.82 EPHX1 (0.41) EPHX1CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL12845027 0.81 MAPK1 (0.46) EPHX1CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL5244908 0.81 LMNA (0.44) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL5246317 0.80 ACHE (0.54) EPHX1
SCHEMBL5244778 0.80 EPHX1 (0.45) EPHX1CHRNB2CHRNA4CHRM2CHRM4

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