SCHEMBL28664210

SCHEMBL28664210

COc1ccc(O[C@H]2CCNC2)cn1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.55
CHRNA4 P43681 2/20 0.55
PRKCZ Q05513 1/20 0.50

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
SCHEMBL28664212 1.00 CHRNB2 (0.55) CHRNB2CHRNA4PRKCZ
SCHEMBL19023247 0.91 HRH1 (0.49) CHRNB2CHRNA4
SCHEMBL29483104 0.91 HRH1 (0.49) CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL19023121 0.90 HRH1 (0.47) CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL19023565 0.90 HRH1 (0.47) CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL28633579 0.88 CHRNB2 (0.48) CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL28645846 0.88 CHRNB2 (0.48) CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL31470955 0.88 CHRNB2 (0.48) CHRNB2CHRNA4
SCHEMBL19023342 0.83 CHRNB2 (0.40) CHRNB2CHRNA4
SCHEMBL19023299 0.83 CHRNB2 (0.40) CHRNB2CHRNA4

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
CN-110177786-B Substituted pyrazolo [1,5-A ] pyridine compounds as RET kinase inhibitors 阿雷生物药品公司 2021-12-14 CN disclosed