SCHEMBL28547150

SCHEMBL28547150

NC(=O)OC1CCN(c2ncc(Br)cn2)C1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACACB O00763 12/20 0.42
HRH3 Q9Y5N1 2/20 0.40
AOC3 Q16853 1/20 0.40
GPR119 Q8TDV5 1/20 0.39
HMOX1 P09601 1/20 0.38
GRM2 Q14416 2/20 0.37
GRM3 Q14832 2/20 0.37
OPRK1 P41145 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
SCHEMBL28544416 0.92 DGAT2 (0.42) ACACB
SCHEMBL28541244 0.92 SCD (0.41) ACACBHRH3AOC3HMOX1
SCHEMBL28624613 0.84 KDM4E (0.50) HRH3GPR119
SCHEMBL20507912 0.83 ACACB (0.44) ACACBAOC3GRM2GRM3OPRK1
SCHEMBL21624873 0.83 HRH3 (0.48) ACACBHRH3GPR119
SCHEMBL21624876 0.83 HRH3 (0.48) ACACBHRH3GPR119
SCHEMBL15224314 0.83 HRH3 (0.52) ACACBHRH3
SCHEMBL29165956 0.83 HRH3 (0.48) ACACBHRH3GPR119
SCHEMBL28539492 0.78 HRH3 (0.40) HRH3AOC3GPR119
SCHEMBL29182795 0.77 CHRNB2 (0.50) HRH3OPRK1

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-108135175-B Bicyclic compounds and their use for inhibition of SUV39H2 肿瘤疗法科学股份有限公司 2021-04-06 CN disclosed