SCHEMBL20458240

SCHEMBL20458240

CCC(C)(C)C1CCN1c1ccc(C#N)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.49
KCNH2 Q12809 1/20 0.45
CHRNA10 Q9GZZ6 1/20 0.41
CHRNA9 Q9UGM1 1/20 0.41
CYP2A6 P11509 1/20 0.40
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
ELANE P08246 1/20 0.37

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
SCHEMBL9891507 0.84 HRH3 (0.49) HRH3KCNH2CYP2A6KDM4ETP53
SCHEMBL9892911 0.75 HRH3 (0.53) HRH3KCNH2CHRNA10CHRNA9KDM4E
SCHEMBL3335248 0.71 AR (0.54) HRH3KCNH2KDM4ETP53
SCHEMBL18235925 0.70 KDM4E (0.42) HRH3KCNH2KDM4ETP53
SCHEMBL20458191 0.69 HRH3 (0.52) HRH3KCNH2KDM4ETP53
SCHEMBL3486555 0.68 HRH3 (0.43) HRH3KCNH2
SCHEMBL5652441 0.68 HRH3 (0.39) HRH3KCNH2
SCHEMBL2391087 0.68 AR (0.51) HRH3KCNH2KDM4ETP53
SCHEMBL13651291 0.67 ALDH1A1 (0.51) HRH3KCNH2KDM4ETP53
SCHEMBL18787366 0.67 ALDH1A1 (0.51) HRH3KCNH2KDM4ETP53

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