SCHEMBL31479252

SCHEMBL31479252

CCN(C(=O)c1cc(F)ccc1-c1cc(C2CCNC2)nc2cnn(C)c12)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 9/20 0.34
HCRTR2 O43614 9/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 1/20 0.34
MPO P05164 1/20 0.32
KCNH2 Q12809 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
AKT1 P31749 2/20 0.31
HTR2A P28223 3/20 0.31
HTR7 P34969 3/20 0.31

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
SCHEMBL31479447 0.88 HCRTR1 (0.34) HCRTR1HCRTR2SLC6A2SLC6A4SLC6A3
SCHEMBL31479275 0.81 HCRTR1 (0.39) HCRTR1HCRTR2PTGDR2
SCHEMBL31478928 0.81 TRPV3 (0.40)
SCHEMBL31479117 0.81 SLC6A2 (0.35) HCRTR1HCRTR2SLC6A2SLC6A4SLC6A3
SCHEMBL31479460 0.80 SLC6A2 (0.35) HCRTR1HCRTR2SLC6A2SLC6A4SLC6A3
SCHEMBL31479110 0.80 SLC6A2 (0.35) HCRTR1HCRTR2SLC6A2SLC6A4SLC6A3
SCHEMBL31479544 0.80 SLC6A2 (0.35) HCRTR1HCRTR2SLC6A2SLC6A4SLC6A3
SCHEMBL31479231 0.78 MEN1 (0.49) KCNH2MEN1KMT2AHTR2AHTR7
SCHEMBL31479425 0.75 MAPK1 (0.36) SLC6A2SLC6A4SLC6A3KCNH2AKT1
SCHEMBL31479670 0.75 HCRTR1 (0.36) HCRTR1HCRTR2KCNH2MEN1KMT2A

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
WO-2025067111-A1 MENIN-MLL INTERACTION INHIBITOR AND PREPARATION METHOD THEREFOR, AND APPLICATION 苏州必扬医药科技有限公司 2025-04-03 WO disclosed