SCHEMBL31479308

SCHEMBL31479308

CCN(C(=O)c1cc(F)ccc1-c1cc(Cl)cc2c1cnn2C)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 11/20 0.39
HCRTR2 O43614 11/20 0.39
ESR1 P03372 1/20 0.34
P2RX7 Q99572 1/20 0.33
HTR2C P28335 2/20 0.33
S1PR2 O95136 2/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KCNH2 Q12809 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
SCHEMBL31479670 0.83 HCRTR1 (0.36) HCRTR1HCRTR2MEN1KMT2AKCNH2
SCHEMBL31479437 0.82 HCRTR1 (0.37) HCRTR1HCRTR2MEN1KMT2AKCNH2
SCHEMBL31479324 0.82 HCRTR1 (0.35) HCRTR1HCRTR2MEN1KMT2AKCNH2
SCHEMBL31479897 0.81 HCRTR1 (0.34) HCRTR1HCRTR2MEN1KMT2AKCNH2
SCHEMBL31479110 0.80 SLC6A2 (0.35) HCRTR1HCRTR2
SCHEMBL31479460 0.80 SLC6A2 (0.35) HCRTR1HCRTR2
SCHEMBL31479544 0.80 SLC6A2 (0.35) HCRTR1HCRTR2
SCHEMBL31479089 0.80 TSHR (0.41) MEN1KMT2A
SCHEMBL31479564 0.80 HCRTR1 (0.34) HCRTR1HCRTR2MEN1KMT2AKCNH2
SCHEMBL31479275 0.79 HCRTR1 (0.39) HCRTR1HCRTR2P2RX7S1PR2

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