SCHEMBL8080001

SCHEMBL8080001

CCC(C)Sc1nsnc1OCCC1CN2CCC1CC2

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 8/20 0.44

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
SCHEMBL8080000 0.80 CHRM1 (0.66) CHRM1
SCHEMBL7819693 0.73 CHRM2 (0.44) CHRM1
SCHEMBL6911494 0.69 CHRM1 (0.69) CHRM1
Fumaric Acid SCHEMBL7824954 0.66 CHRM2 (0.40) CHRM1
Fumaric Acid SCHEMBL7824957 0.66 CHRM2 (0.40) CHRM1
SCHEMBL7819510 0.64 CHRM1 (0.55) CHRM1
SCHEMBL8080004 0.63 CHRM1 (0.66) CHRM1
SCHEMBL7810892 0.63 CHRM1 (0.57) CHRM1
SCHEMBL5932047 0.61 CHRM1 (0.66) CHRM1
SCHEMBL7819020 0.61 CHRM2 (0.41) CHRM1

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
JP-2000501384-A 2000-02-08 JP claimed
WO-1997017962-A1 METHOD FOR TREATING ANXIETY ELI LILLY AND COMPANY (US) 1997-05-22 WO claimed