SCHEMBL31504241

SCHEMBL31504241

O=C(Nc1ccc(N2CCN(c3ccccn3)CC2)cc1)c1ccc(OC[C@@H](O)CF)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.55
NPSR1 Q6W5P4 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.52
TSHR P16473 3/20 0.52
LMNA P02545 3/20 0.52
USP2 O75604 2/20 0.52
MAPK1 P28482 1/20 0.52
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
ALDH1A1 P00352 5/20 0.50
HSD17B10 Q99714 2/20 0.50
KDM4E B2RXH2 2/20 0.50
ALOX15 P16050 1/20 0.50
HTR1A P08908 1/20 0.49
HTR2A P28223 1/20 0.49
HPGD P15428 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
GAA P10253 1/20 0.48
HIF1A Q16665 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL22495415 1.00 MAPT (0.55) MAPTNPSR1SMN1; SMN2TSHRLMNA
SCHEMBL31504261 0.88 HTR1A (0.57) MAPTSMN1; SMN2TSHRLMNAUSP2
SCHEMBL22495213 0.88 HTR1A (0.57) MAPTSMN1; SMN2TSHRLMNAUSP2
SCHEMBL22495289 0.87 MAPT (0.58) MAPTSMN1; SMN2TSHRLMNAUSP2
SCHEMBL22495397 0.84 KMT2A (0.54) MAPTSMN1; SMN2TSHRLMNAUSP2
SCHEMBL31504277 0.84 KMT2A (0.54) MAPTSMN1; SMN2TSHRLMNAUSP2
SCHEMBL31504269 0.84 MAPT (0.52) MAPTNPSR1SMN1; SMN2TSHRLMNA
SCHEMBL22495225 0.84 MAPT (0.52) MAPTNPSR1SMN1; SMN2TSHRLMNA
SCHEMBL22495286 0.84 PANK3 (0.48) MAPTNPSR1SMN1; SMN2TSHRLMNA
SCHEMBL31504187 0.84 PANK3 (0.48) MAPTNPSR1SMN1; SMN2TSHRLMNA

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
EP-3728234-B1 RADIOLABELED COMPOUNDS HOFFMANN LA ROCHE (CH) 2025-05-14 EP claimed