SCHEMBL20458191

SCHEMBL20458191

CC(C)C1CCN1c1ccc(C#N)cc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.52
KCNH2 Q12809 1/20 0.49
AR P10275 1/20 0.42
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL24435216 0.90 AR (0.52) HRH3KCNH2ARKDM4ETP53
SCHEMBL20458265 0.83 HRH3 (0.47) HRH3KCNH2ARKDM4ETP53
SCHEMBL20458203 0.77 HRH3 (0.45) HRH3
SCHEMBL13015211 0.77 KMT2A (0.36)
SCHEMBL24434955 0.77 ESR1 (0.41) HRH3ARKDM4E
SCHEMBL9892911 0.73 HRH3 (0.53) HRH3KCNH2ARKDM4ETP53
SCHEMBL9891507 0.73 HRH3 (0.49) HRH3KCNH2KDM4ETP53
SCHEMBL12578204 0.73 KDM4E (0.53) HRH3KDM4ETP53
SCHEMBL24481600 0.72 AR (0.43) HRH3ARKDM4E
SCHEMBL2391087 0.72 AR (0.51) HRH3KCNH2ARKDM4ETP53

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-2443107-B1 AZETIDINE 2 -CARBOXAMIDE DERIVATIVES WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2018-08-08 EP disclosed