SCHEMBL22183370

SCHEMBL22183370

CC(CCCC[C@@H](C)C(C)C)NC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
ADRA2B P18089 1/20 0.34
CHRM3 P20309 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
OPRK1 P41145 1/20 0.34
CACNA1D Q01668 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KCNH2 Q12809 1/20 0.34
CACNA1S Q13698 1/20 0.34
CACNA1C Q13936 1/20 0.34
SCN5A Q14524 1/20 0.34

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
SCHEMBL14176514 0.85 CACNA1F (0.39) CACNA1FCHRM2CHRM1ADRA2BCHRM3
SCHEMBL15171895 0.79 ADH1B (0.47) CACNA1FCHRM2CHRM1ADRA2BCHRM3
SCHEMBL20707027 0.79 LMNA (0.40) CACNA1FCHRM2CHRM1ADRA2BCHRM3
SCHEMBL24311659 0.77 CACNA1F (0.34) CACNA1FCHRM2CHRM1ADRA2BCHRM3
SCHEMBL10706764 0.76 CA2 (0.39) CACNA1FCHRM2CHRM1ADRA2BCHRM3
SCHEMBL12617185 0.76 LMNA (0.42) CACNA1FCHRM2CHRM1ADRA2BCHRM3
SCHEMBL24191897 0.74 CACNA1F (0.35) CACNA1FCHRM2CHRM1ADRA2BCHRM3
SCHEMBL24191896 0.74 CACNA1F (0.35) CACNA1FCHRM2CHRM1ADRA2BCHRM3
SCHEMBL24191892 0.74 CACNA1F (0.35) CACNA1FCHRM2CHRM1ADRA2BCHRM3
SCHEMBL18997681 0.74 CACNA1F (0.35) CACNA1FCHRM2CHRM1ADRA2BCHRM3

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-3674300-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS Zenith Epigenetics Ltd. (CA) 2020-07-01 EP disclosed