SCHEMBL28595288

SCHEMBL28595288

Cc1ccc(S(=O)(=O)n2ccc3nc(CNCS[C@@H]4CCCN(C(=O)OC(C)(C)C)C4)cnc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.43
BCHE P06276 2/20 0.43
GPR119 Q8TDV5 9/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MMP13 P45452 3/20 0.36
MMP1 P03956 1/20 0.36
MMP9 P14780 1/20 0.36
ADAM17 P78536 1/20 0.36
NAMPT P43490 2/20 0.35
MERTK Q12866 1/20 0.35

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
SCHEMBL1934902 0.86 HTR6 (0.43) HTR6BCHEKMT2AMMP13MMP1
SCHEMBL1935242 0.86 HTR6 (0.43) HTR6BCHEKMT2AMMP13MMP1
SCHEMBL9990721 0.84 HTR6 (0.42) HTR6BCHEMEN1KMT2AMMP13
SCHEMBL1934083 0.84 HTR6 (0.42) HTR6BCHEMEN1KMT2AMMP13
SCHEMBL9990840 0.81 TACR1 (0.39) HTR6BCHEGPR119MEN1KMT2A
SCHEMBL1536189 0.81 TACR1 (0.39) HTR6BCHEGPR119MEN1KMT2A
SCHEMBL18855538 0.81 TACR1 (0.39) HTR6BCHEGPR119MEN1KMT2A
SCHEMBL28595287 0.81 HTR6 (0.39) HTR6BCHEGPR119MEN1KMT2A
SCHEMBL28595291 0.81 HTR6 (0.39) HTR6BCHEGPR119MEN1KMT2A
SCHEMBL1935169 0.80 HTR6 (0.38) HTR6BCHEGPR119MEN1KMT2A

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-109053742-B Novel tricyclic compounds ABBVIE 公司 2021-06-15 CN disclosed