SCHEMBL31098564

SCHEMBL31098564

CN(Cc1ccc(F)cc1F)C(=O)OC(C)(C)C

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 8/20 0.63
HTR2A P28223 4/20 0.48
HTR2C P28335 4/20 0.48
SLC6A4 P31645 4/20 0.48
MAOB P27338 1/20 0.41
CACNA1G O43497 1/20 0.40
CACNA1B Q00975 1/20 0.40
CACNA1C Q13936 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
IDO1 P14902 1/20 0.38
AGXT P21549 1/20 0.38

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
SCHEMBL12068165 0.86 RIPK1 (0.47) RIPK1HTR2AHTR2CSLC6A4CACNA1G
SCHEMBL31137753 0.86 RIPK1 (0.47) RIPK1HTR2AHTR2CSLC6A4CACNA1G
SCHEMBL30512182 0.86 RIPK1 (0.50) RIPK1HTR2AHTR2CSLC6A4CACNA1G
SCHEMBL21494224 0.86 RIPK1 (0.50) RIPK1HTR2AHTR2CSLC6A4CACNA1G
SCHEMBL23105683 0.84 RIPK1 (0.49) RIPK1HTR2AHTR2CSLC6A4CACNA1G
SCHEMBL23105681 0.83 RIPK1 (0.48) RIPK1HTR2AHTR2CSLC6A4CACNA1G
SCHEMBL14762235 0.81 SSTR4 (0.52) RIPK1HTR2AHTR2CSLC6A4MAOB
SCHEMBL5912672 0.81 RIPK1 (0.43) RIPK1HTR2AHTR2CSLC6A4CACNA1G
SCHEMBL31118082 0.80 RIPK1 (0.47) RIPK1HTR2AHTR2CSLC6A4MAOB
SCHEMBL506105 0.80 RIPK1 (0.40) RIPK1HTR2AHTR2CSLC6A4CACNA1G

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-113563245-B Substituted pyrrolidines and their use in medicine 广东东阳光药业股份有限公司 2024-10-15 CN disclosed