SCHEMBL31479898

SCHEMBL31479898

CCN(C(=O)c1cc(F)ccc1-c1cc(C2CCNC2)cn2c(C)nnc12)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 6/20 0.36
HCRTR2 O43614 6/20 0.36
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 2/20 0.35
BRD4 O60885 2/20 0.32
BRD2 P25440 2/20 0.32
BRD3 Q15059 2/20 0.32
CREBBP Q92793 2/20 0.32
POLQ O75417 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
KCNH2 Q12809 1/20 0.30
MPO P05164 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
SCHEMBL31479478 0.94 HCRTR1 (0.37) HCRTR1HCRTR2BRD4BRD2BRD3
SCHEMBL31478944 0.87 HCRTR1 (0.35) HCRTR1HCRTR2SLC6A2SLC6A4SLC6A3
SCHEMBL31479254 0.84 GPBAR1 (0.38) HCRTR1HCRTR2BRD4BRD3
SCHEMBL31479501 0.83 HCRTR1 (0.35) HCRTR1HCRTR2SLC6A2SLC6A4SLC6A3
SCHEMBL31479082 0.83 GPR119 (0.40) BRD4BRD3
SCHEMBL31479746 0.80 SLC6A2 (0.35) HCRTR1HCRTR2SLC6A2SLC6A4SLC6A3
SCHEMBL31479165 0.80 SLC6A2 (0.35) HCRTR1HCRTR2SLC6A2SLC6A4SLC6A3
SCHEMBL31479159 0.80 SLC6A2 (0.35) HCRTR1HCRTR2SLC6A2SLC6A4SLC6A3
SCHEMBL31479417 0.80 HCRTR1 (0.37) HCRTR1HCRTR2MEN1KMT2AKCNH2
SCHEMBL31479549 0.80 HCRTR1 (0.35) 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