SCHEMBL9729003

SCHEMBL9729003

CCCN1CCC=C(c2nc(NC)sc2Cl)C1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
CHRM3 P20309 1/20 0.40
KCNH2 Q12809 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
CHRM1 P11229 2/20 0.36

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
SCHEMBL9728143 0.87 CHRM2 (0.38) CHRM2CHRM4CHRM5ADRA2AADRA2B
Hydrochloric Acid SCHEMBL9728714 0.85 CHRM2 (0.37) CHRM2CHRM4CHRM5ADRA2AADRA2B
SCHEMBL9728494 0.84 CHRM2 (0.45) CHRM2CHRM4CHRM5ADRA2AADRA2B
SCHEMBL9728716 0.82 CHRM2 (0.41) CHRM2CHRM4CHRM5ADRA2AADRA2B
Hydrochloric Acid SCHEMBL9728899 0.81 CHRM2 (0.42) CHRM2CHRM4CHRM5ADRA2AADRA2B
SCHEMBL9728927 0.78 CHRM2 (0.43) CHRM2CHRM4CHRM5ADRA2AADRA2B
SCHEMBL9452006 0.75 CHRM2 (0.44) CHRM2CHRM4CHRM5ADRA2AADRA2B
SCHEMBL9728112 0.72 RAD52 (0.43)
SCHEMBL9728399 0.70 CHRM1 (0.35) CHRM1
SCHEMBL9728496 0.69 CHRM1 (0.48) CHRM2CHRM4CHRM5CHRM3CHRM1

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