SCHEMBL9728317

SCHEMBL9728317

CN1CCC=C(c2nc(N)sc2Cl)C1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 10/20 0.55
CHRM4 P08173 5/20 0.46
CHRM2 P08172 2/20 0.46
CHRM5 P08912 2/20 0.46
CHRM3 P20309 2/20 0.46
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43

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
Fumaric Acid SCHEMBL195353 0.89 CHRM1 (0.45) CHRM1CHRM4CHRM2CHRM5CHRM3
SCHEMBL9728716 0.82 CHRM2 (0.41) CHRM4CHRM2CHRM5CHRM3
SCHEMBL9728112 0.82 RAD52 (0.43)
SCHEMBL10433205 0.80 CHRM1 (0.49) CHRM1CHRM4CHRM2CHRM5CHRM3
SCHEMBL9728399 0.79 CHRM1 (0.35) CHRM1
Hydrochloric Acid SCHEMBL9729647 0.78 CHRM1 (0.44) CHRM1CHRM4CHRM2CHRM5CHRM3
Hydrochloric Acid SCHEMBL9728050 0.78 CHRM1 (0.50) CHRM1CHRM4CHRM2CHRM5CHRM3
SCHEMBL9727860 0.77 SIGMAR1 (0.41)
SCHEMBL9728521 0.76 MAPT (0.41)
SCHEMBL9728496 0.76 CHRM1 (0.48) CHRM1CHRM4CHRM2CHRM5CHRM3

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 3 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-0372125-A1 Oxazole and thiazole derivatives AKZO N.V. (NL) 1990-06-13 EP disclosed
EP-0368384-A1 Thiazole derivatives AKZO N.V. (NL) 1990-05-16 EP disclosed