SCHEMBL28616288

SCHEMBL28616288

CN1CCN(C)CN=NC1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL11937064 0.84
SCHEMBL7571225 0.69 CYP1A2 (0.47) CYP1A2TDP1
SCHEMBL577198 0.69 CYP1A2 (0.47) CYP1A2TDP1
SCHEMBL8629808 0.69
SCHEMBL1069 0.69
SCHEMBL565222 0.69 CYP1A2 (0.47) CYP1A2TDP1
SCHEMBL151183 0.69 CYP1A2 (0.47) CYP1A2TDP1
SCHEMBL23495473 0.65 CYP1A2 (0.44) CYP1A2TDP1
Water SCHEMBL4608135 0.65
SCHEMBL17669716 0.65 CYP1A2 (0.44) CYP1A2TDP1

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
CN-113365992-B Process and intermediates for the preparation of Wo Sailuo torr 晶体制药独资有限公司 2024-05-28 CN disclosed
CN-113365992-A Processes and intermediates for the preparation of vortiotropium 晶体制药独资有限公司 2021-09-07 CN disclosed
CN-113272290-A Process and intermediates for synthesis of vortiotropium 晶体制药独资有限公司 2021-08-17 CN disclosed