SCHEMBL28166243

SCHEMBL28166243

CC(C)N1CCC(N(C)[C]=O)C1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.38
KCNH2 Q12809 1/20 0.34
PGR P06401 1/20 0.33
BRD4 O60885 1/20 0.32
TAF1 P21675 1/20 0.32
CECR2 Q9BXF3 1/20 0.32
BRD9 Q9H8M2 1/20 0.32

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
SCHEMBL2737220 0.79 HRH3 (0.38) HRH3KCNH2PGR
SCHEMBL2737213 0.79 HRH3 (0.38) HRH3KCNH2PGR
SCHEMBL12205472 0.79 HRH3 (0.38) HRH3KCNH2PGR
SCHEMBL18068287 0.76 HRH3 (0.36) HRH3KCNH2PGR
SCHEMBL22007196 0.76 HRH3 (0.36) HRH3KCNH2PGR
SCHEMBL12386638 0.76 HRH3 (0.36) HRH3KCNH2PGR
SCHEMBL18347918 0.76 HRH3 (0.36) HRH3KCNH2PGR
SCHEMBL20676134 0.76 HRH3 (0.36) HRH3KCNH2PGR
SCHEMBL17067977 0.76 HRH3 (0.36) HRH3KCNH2PGR
SCHEMBL12259239 0.74 HRH3 (0.47) HRH3KCNH2BRD4TAF1CECR2

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-104817549-B Evil azole compounds with antifungal activity and its preparation method and application 河南师范大学 2017-08-11 CN disclosed