SCHEMBL31479031

SCHEMBL31479031

Cc1ncc2c(-c3ccc(F)cc3C(=O)N(CC(F)F)C(C)C)cc(Cl)cn12

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 15/20 0.35
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 2/20 0.34
GPBAR1 Q8TDU6 1/20 0.33
SCN9A Q15858 1/20 0.32
TGFBR1 P36897 1/20 0.32

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
SCHEMBL31479832 0.91 HCRTR1 (0.40) GRIN2BHCRTR1HCRTR2SCN9ATGFBR1
SCHEMBL31479476 0.84 HCRTR1 (0.32) HCRTR1HCRTR2
SCHEMBL31479880 0.83 ALK (0.34) HCRTR1HCRTR2TGFBR1
SCHEMBL31479471 0.83 SLC6A2 (0.33) HCRTR1HCRTR2
SCHEMBL31479205 0.83 HCRTR1 (0.40) GRIN2BHCRTR1HCRTR2SCN9A
SCHEMBL31479580 0.81 SLC6A2 (0.35) HCRTR1HCRTR2
SCHEMBL31479465 0.81 SLC6A2 (0.35) HCRTR1HCRTR2
SCHEMBL31479169 0.79 HCRTR1 (0.39) GRIN2BHCRTR1HCRTR2GPBAR1
SCHEMBL31479527 0.78 TSHR (0.41) GRIN2B
SCHEMBL31479125 0.76 HCRTR1 (0.39) HCRTR1HCRTR2TGFBR1

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