SCHEMBL9728928

SCHEMBL9728928

CN1CCC=C(c2ncsc2Cl)C1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 13/20 0.59
CHRM4 P08173 6/20 0.50
CHRNB2 P17787 1/20 0.50
CHRNA4 P43681 1/20 0.50
CHRM2 P08172 3/20 0.49
CHRM5 P08912 3/20 0.49
CHRM3 P20309 3/20 0.49

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
SCHEMBL9225425 0.75 CHRM1 (0.60) CHRM1CHRM4CHRNB2CHRNA4CHRM2
SCHEMBL7612125 0.74 CHRM1 (1.00) CHRM1CHRM4CHRM2CHRM5CHRM3
SCHEMBL9728317 0.74 CHRM1 (0.55) CHRM1CHRM4CHRNB2CHRNA4CHRM2
Hydrochloric Acid SCHEMBL23359148 0.73 CHRM1 (0.97) CHRM1CHRM4CHRM2CHRM5CHRM3
SCHEMBL7611948 0.71 CHRM1 (0.59) CHRM1CHRM4CHRNB2CHRNA4CHRM2
Hydrochloric Acid SCHEMBL9728050 0.70 CHRM1 (0.50) CHRM1CHRM4CHRNB2CHRNA4CHRM2
SCHEMBL10433194 0.70 CHRM1 (0.51) CHRM1CHRNB2CHRNA4CHRM2CHRM3
SCHEMBL10433205 0.69 CHRM1 (0.49) CHRM1CHRM4CHRM2CHRM5CHRM3
SCHEMBL10438323 0.69 CHRM1 (0.52) CHRM1CHRM4CHRNB2CHRNA4CHRM2
Oxalic Acid SCHEMBL7609511 0.68 CHRM1 (0.84) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5128340-A Thiazole derivatives AKZO N.V. (NL) 1992-07-07 US disclosed