SCHEMBL31479547

SCHEMBL31479547

CC(C)N(CC(F)F)C(=O)c1cc(F)ccc1-c1cc(C2CNC2)n2ccncc12

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 2/20 0.33
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 2/20 0.32
MAPT P10636 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
AR P10275 1/20 0.30
MC4R P32245 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
SCHEMBL31479473 0.92 PLAT (0.33) GPBAR1HCRTR1HCRTR2SLC6A2SLC6A4
SCHEMBL31479651 0.85 GPBAR1 (0.41) GPBAR1MC4R
SCHEMBL31479901 0.84 GPR119 (0.40) GPBAR1
SCHEMBL31479468 0.82
SCHEMBL31479144 0.81 MEN1 (0.46) MC4R
SCHEMBL31479532 0.81 SLC6A2 (0.35) HCRTR1HCRTR2SLC6A2SLC6A4SLC6A3
SCHEMBL31478951 0.80 MEN1 (0.47) MC4R
SCHEMBL31479203 0.80 KIF11 (0.33)
SCHEMBL31479476 0.80 HCRTR1 (0.32) HCRTR1HCRTR2SLC6A2SLC6A4SLC6A3
SCHEMBL31479406 0.76 HCRTR1 (0.32) HCRTR1HCRTR2SLC6A2SLC6A4SLC6A3

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