SCHEMBL6196641

SCHEMBL6196641

Cn1ccc(=O)c(OCc2ccccc2)c1C(OC1CCCCO1)c1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
HPGD P15428 1/20 0.35
NPC1 O15118 1/20 0.33
P2RX3 P56373 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
POLB P06746 1/20 0.31
MCHR1 Q99705 3/20 0.31
PDE1C Q14123 1/20 0.30
HTR2C P28335 1/20 0.30
SLC6A4 P31645 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
SCHEMBL6195209 0.88 HTT (0.35) HTTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL6198184 0.88 HTT (0.38) HTTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL6197503 0.86 ALDH1A1 (0.34) HTTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL8850256 0.83 HTT (0.34) HTTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL6197787 0.82 LMNA (0.42) LMNAGAAPOLB
SCHEMBL6198797 0.81 MAOB (0.37) HTTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL6200100 0.77 HTT (0.38) HTTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL6198833 0.77 HTT (0.38) HTTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL6196257 0.76 HTT (0.38) HTTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL6196690 0.76 HTT (0.37) HTTSMN1; SMN2MEN1ALDH1A1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0768302-B1 Hydroxypyridinones NOVARTIS AG (CH) 2005-07-06 EP disclosed
US-5688815-A COMPOUNDS FOR REMOVAL OF EXCESS IRON IN MAMMALS CIBA GEIGY CORPORATION (US) 1997-11-18 US disclosed
EP-0768302-A2 Hydroxypyridinones Novartis AG (CH) 1997-04-16 EP disclosed