SCHEMBL9728601

SCHEMBL9728601

C=COC(=O)Nc1nc(C2=CCCN(C)C2)c(Cl)s1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 4/20 0.41
CHRM5 P08912 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM3 P20309 1/20 0.38

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
SCHEMBL9728496 0.78 CHRM1 (0.48) CHRM1CHRM5CHRM4CHRM2CHRM3
SCHEMBL10433205 0.72 CHRM1 (0.49) CHRM1CHRM5CHRM4CHRM2CHRM3
Fumaric Acid SCHEMBL195353 0.70 CHRM1 (0.45) CHRM1CHRM5CHRM4CHRM2CHRM3
SCHEMBL9728317 0.69 CHRM1 (0.55) CHRM1CHRM5CHRM4CHRM2CHRM3
Hydrochloric Acid SCHEMBL9728050 0.66 CHRM1 (0.50) CHRM1CHRM5CHRM4CHRM2CHRM3
Hydrochloric Acid SCHEMBL9728714 0.64 CHRM2 (0.37) CHRM5CHRM4CHRM2CHRM3
SCHEMBL9729003 0.63 CHRM2 (0.40) CHRM1CHRM5CHRM4CHRM2CHRM3
SCHEMBL9728928 0.62 CHRM1 (0.59) CHRM1CHRM5CHRM4CHRM2CHRM3
Oxalic Acid SCHEMBL7609511 0.62 CHRM1 (0.84) CHRM1
SCHEMBL9728143 0.61 CHRM2 (0.38) CHRM1CHRM5CHRM4CHRM2CHRM3

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
US-5128340-A Thiazole derivatives AKZO N.V. (NL) 1992-07-07 US disclosed
EP-0368384-A1 Thiazole derivatives AKZO N.V. (NL) 1990-05-16 EP disclosed