SCHEMBL28596013

SCHEMBL28596013

COC(=O)c1c(-c2c(Cl)ccnc2Cl)noc1C1CC1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
NR1H4 Q96RI1 15/20 0.46
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL1096257 0.86 POLB (0.67) POLBNR1H4ALDH1A1GAAMAPT
SCHEMBL22790236 0.82 POLB (0.58) POLBNR1H4ALDH1A1GAAMAPT
SCHEMBL22397165 0.81 POLB (0.50) POLBNR1H4ALDH1A1GAA
SCHEMBL22790342 0.81 POLB (0.57) POLBNR1H4ALDH1A1GAAMAPT
SCHEMBL22772582 0.79 NR1H4 (0.50) POLBNR1H4ALDH1A1GAA
SCHEMBL1999474 0.79 POLB (0.51) POLBNR1H4ALDH1A1GAAMAPT
SCHEMBL4338523 0.77 POLB (0.49) POLBNR1H4ALDH1A1GAAMAPT
SCHEMBL22570976 0.76 NR1H4 (0.49) POLBNR1H4ALDH1A1GAA
SCHEMBL22772592 0.76 PPARG (0.54) POLBNR1H4ALDH1A1GAAMAPT
SCHEMBL2002892 0.74 NR1H4 (0.54) POLBNR1H4ALDH1A1MAPT

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-108430998-B Azabicyclo derivatives, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2021-07-09 CN disclosed