SCHEMBL31479797

SCHEMBL31479797

CCN(C(=O)c1cc(F)ccc1-c1cc(C2CCC(N)CC2)cn2cncc12)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 9/20 0.35
HCRTR2 O43614 9/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KCNH2 Q12809 1/20 0.34
PDE6D O43924 1/20 0.31
GPBAR1 Q8TDU6 2/20 0.30
IDO1 P14902 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
SCHEMBL31479857 0.90 KCNH2 (0.39) HCRTR1HCRTR2MEN1KMT2AKCNH2
SCHEMBL31479174 0.88 PDE6D (0.37) HCRTR1HCRTR2MEN1KMT2AKCNH2
SCHEMBL31479634 0.85 MEN1 (0.35) HCRTR1HCRTR2MEN1KMT2AKCNH2
SCHEMBL31479528 0.84 GPR119 (0.41)
SCHEMBL31479477 0.82 GPR119 (0.40) GPBAR1
SCHEMBL31479129 0.82 GPR119 (0.40) GPBAR1
SCHEMBL31479929 0.82 GPR119 (0.40) GPBAR1
SCHEMBL31479415 0.82 MEN1 (0.41) HCRTR1HCRTR2MEN1KMT2AKCNH2
SCHEMBL31479249 0.82 HCRTR1 (0.35) HCRTR1HCRTR2MEN1KMT2AKCNH2
SCHEMBL31478997 0.79 HCRTR1 (0.36) HCRTR1HCRTR2MEN1KMT2AKCNH2

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