SCHEMBL31479447

SCHEMBL31479447

CCN(C(=O)c1cc(F)ccc1-c1cc(C2CCNC2)nc2c1cnn2C)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 6/20 0.34
HCRTR2 O43614 6/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
S1PR2 O95136 4/20 0.34
CHEK1 O14757 4/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
HTR2C P28335 1/20 0.33
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 1/20 0.32
HTR2A P28223 1/20 0.32
HTR7 P34969 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
SCHEMBL31479252 0.88 HCRTR1 (0.34) HCRTR1HCRTR2SLC6A2SLC6A4SLC6A3
SCHEMBL31479856 0.87 CHEK1 (0.34) SLC6A2SLC6A4CHEK1CCNA2CDK2
SCHEMBL31479544 0.85 SLC6A2 (0.35) HCRTR1HCRTR2SLC6A2SLC6A4SLC6A3
SCHEMBL31479460 0.85 SLC6A2 (0.35) HCRTR1HCRTR2SLC6A2SLC6A4SLC6A3
SCHEMBL31479110 0.85 SLC6A2 (0.35) HCRTR1HCRTR2SLC6A2SLC6A4SLC6A3
SCHEMBL31479117 0.84 SLC6A2 (0.35) HCRTR1HCRTR2SLC6A2SLC6A4SLC6A3
SCHEMBL31480019 0.81 GPR119 (0.40)
SCHEMBL31479670 0.80 HCRTR1 (0.36) HCRTR1HCRTR2KMT2AHTR2AHTR7
SCHEMBL31479424 0.78 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3
SCHEMBL31479357 0.77 KDM4E (0.38) KDM4EKMT2A

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