SCHEMBL28932944

SCHEMBL28932944

COC(=O)C1CN(Cc2ccccc2)CC1c1ccc(OC)cc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.56
SIGMAR1 Q99720 2/20 0.51
FAAH O00519 1/20 0.50
SLC6A2 P23975 2/20 0.49
SLC6A4 P31645 2/20 0.49
SLC6A3 Q01959 2/20 0.49
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48
MCHR1 Q99705 1/20 0.48
CHRM4 P08173 1/20 0.48
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL23951589 1.00 RORC (0.56) RORCSIGMAR1FAAHSLC6A2SLC6A4
SCHEMBL4661703 0.92 RORC (0.57) RORCSLC6A2SLC6A4SLC6A3CHRM4
SCHEMBL7888069 0.92 RORC (0.57) RORCSLC6A2SLC6A4SLC6A3CHRM4
SCHEMBL5110560 0.92 RORC (0.57) RORCSLC6A2SLC6A4SLC6A3CHRM4
SCHEMBL4661705 0.92 RORC (0.57) RORCSLC6A2SLC6A4SLC6A3CHRM4
SCHEMBL14498495 0.92 RORC (0.57) RORCSLC6A2SLC6A4SLC6A3CHRM4
SCHEMBL9925992 0.90 RORC (0.56) RORCSLC6A2SLC6A4SLC6A3
SCHEMBL2224784 0.90 RORC (0.56) RORCSLC6A2SLC6A4SLC6A3
SCHEMBL2778339 0.90 RORC (0.56) RORCSLC6A2SLC6A4SLC6A3
SCHEMBL1920333 0.90 RORC (0.56) RORCSLC6A2SLC6A4SLC6A3

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-115427394-A Heterocyclic compounds for modulating NR2F6 TES制药有限责任公司 2022-12-02 CN disclosed