SCHEMBL17067977

SCHEMBL17067977

CC(C)N1CCC(N(C)I)C1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.36
KCNH2 Q12809 1/20 0.33
PGR P06401 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
SCHEMBL18633795 0.87 HRH3 (0.36) HRH3KCNH2
SCHEMBL12205472 0.83 HRH3 (0.38) HRH3KCNH2PGR
SCHEMBL2737213 0.83 HRH3 (0.38) HRH3KCNH2PGR
SCHEMBL2737220 0.83 HRH3 (0.38) HRH3KCNH2PGR
SCHEMBL12386638 0.79 HRH3 (0.36) HRH3KCNH2PGR
SCHEMBL22007196 0.79 HRH3 (0.36) HRH3KCNH2PGR
SCHEMBL18347918 0.79 HRH3 (0.36) HRH3KCNH2PGR
SCHEMBL20676134 0.79 HRH3 (0.36) HRH3KCNH2PGR
SCHEMBL18068287 0.79 HRH3 (0.36) HRH3KCNH2PGR
SCHEMBL24316258 0.77 HRH3 (0.35) HRH3KCNH2PGR

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
EP-2389372-B1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS INC (US) 2015-09-09 EP disclosed