SCHEMBL8417259

SCHEMBL8417259

CC(C#N)N1C(=O)CCC1=O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
SLC1A2 P43004 2/20 0.31
TSHR P16473 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
SCHEMBL34662 0.78 CHRM2 (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL28949200 0.71 MGLL (0.38) TSHR
SCHEMBL1698550 0.71 SMN1; SMN2 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL28303842 0.70 TSHR (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10644061 0.69 CHRM2 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL12326771 0.68 HSD11B1 (0.33)
SCHEMBL1536266 0.67 CHRM2 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL22372501 0.67 CHRM2 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL19286980 0.67 CHRM2 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6050180 0.67 CHRM2 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3

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-5929297-A FORMING A MIXTURE OF DIMERS, TRIMERS AND OLIGOMERS BY CONTACTING AN ALPHA-OLEFIN WITH A CATALYST SYSTEM OF BORON TRIFLUORIDE, A PROTIC PROMOTER, AND A NITROGEN COMPOUND BEING AN AMIDE, UREA, IMIDE OR CARBAMATE BP AMOCO CORPORATION (US) 1999-07-27 US disclosed