SCHEMBL31479294

SCHEMBL31479294

CCN(C(=O)c1cc(F)ccc1-c1cc(N2CC(N)C2)cn2c(C)ncc12)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 17/20 0.36
HCRTR2 O43614 17/20 0.36
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KCNH2 Q12809 1/20 0.33
OXTR P30559 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL31479756 0.92 HCRTR1 (0.36) HCRTR1HCRTR2MEN1KMT2AKCNH2
SCHEMBL31479296 0.87 HCRTR1 (0.36) HCRTR1HCRTR2MEN1KMT2AKCNH2
SCHEMBL31478986 0.86 MEN1 (0.36) HCRTR1HCRTR2MEN1KMT2AKCNH2
SCHEMBL31479799 0.85 MEN1 (0.36) HCRTR1HCRTR2MEN1KMT2AKCNH2
SCHEMBL31479586 0.85 ENPP2 (0.39) HCRTR1HCRTR2MEN1KMT2AKCNH2
SCHEMBL31479662 0.85 HCRTR1 (0.35) HCRTR1HCRTR2MEN1KMT2AKCNH2
SCHEMBL31479594 0.83 MEN1 (0.41) HCRTR1HCRTR2MEN1KMT2AKCNH2
SCHEMBL31479832 0.83 HCRTR1 (0.40) HCRTR1HCRTR2MEN1KMT2AKCNH2
SCHEMBL31479417 0.83 HCRTR1 (0.37) HCRTR1HCRTR2MEN1KMT2AKCNH2
SCHEMBL31478993 0.82 ENPP2 (0.37) MEN1KMT2A

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