SCHEMBL31232811

SCHEMBL31232811

Fc1ccc(N2CCN(CCNCc3ccccn3)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
ALOX15 P16050 1/20 0.62
TSHR P16473 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
GFER P55789 2/20 0.59
KDM4E B2RXH2 2/20 0.59
LMNA P02545 1/20 0.59
CACNA1G O43497 1/20 0.51
DRD2 P14416 4/20 0.49
DRD3 P35462 3/20 0.49
HTR1A P08908 4/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HTR2A P28223 3/20 0.46
HRH1 P35367 2/20 0.46
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
CHRM2 P08172 1/20 0.46
DRD4 P21917 1/20 0.46

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
SCHEMBL31232707 0.90 ALDH1A1 (0.67) ALDH1A1ALOX15TSHRL3MBTL1GFER
SCHEMBL31232859 0.88 ALDH1A1 (0.62) ALDH1A1ALOX15TSHRL3MBTL1KDM4E
SCHEMBL31232832 0.85 ALDH1A1 (0.61) ALDH1A1ALOX15TSHRL3MBTL1GFER
SCHEMBL31232711 0.85 ALDH1A1 (0.58) ALDH1A1ALOX15TSHRL3MBTL1KDM4E
SCHEMBL31232772 0.83 MAPT (0.57) ALDH1A1ALOX15TSHRL3MBTL1LMNA
SCHEMBL31232847 0.81 ALDH1A1 (0.59) ALDH1A1ALOX15TSHRL3MBTL1DRD2
SCHEMBL5024894 0.80 ALDH1A1 (0.76) ALDH1A1ALOX15TSHRL3MBTL1KDM4E
SCHEMBL5013030 0.79 ALDH1A1 (0.71) ALDH1A1ALOX15TSHRL3MBTL1KDM4E
SCHEMBL5028870 0.79 ALDH1A1 (0.74) ALDH1A1ALOX15TSHRL3MBTL1KDM4E
SCHEMBL31232857 0.77 ALDH1A1 (0.67) ALDH1A1ALOX15TSHRL3MBTL1KDM4E

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-2024233922-A2 PYRIDINE-PIPERAZINE-BASED SCAFFOLDS AS HIGHLY POTENT AND SELECTIVE NEUROLYSIN ACTIVATORS TEXAS TECH UNIVERSITY SYSTEM (US) 2024-11-14 WO disclosed