SCHEMBL11030487

SCHEMBL11030487

COCCOC(=O)N(C)Cl

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.40
CHRNA4 P43681 5/20 0.40
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 0.40
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CHRNB4 P30926 2/20 0.31
CHRNA3 P32297 2/20 0.31
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
SCHEMBL24477517 0.83 CHRNB2 (0.38) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL1785594 0.81 CHRNB2 (0.60) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL22556157 0.79
SCHEMBL11030485 0.77 CHRNB2 (0.36) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL10918173 0.76 ALDH1A1 (0.52) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL12051307 0.76 CHRNB2 (0.43) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL301733 0.76 CHRNB2 (0.44) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL9587206 0.76 CHRNB2 (0.54) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL12084024 0.76 TSHR (0.38) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL25724242 0.74 CHRNB2 (0.41) CHRNB2CHRNA4CHRM2CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4479002-A CHEMICAL INTERMEDIATES FOR INSECTICIDES, PESTICIDES UNION CARBIDE CORPORATION (US) 1984-10-23 US disclosed