SCHEMBL6420533

SCHEMBL6420533

O=C(OCC1CC=CCC1)C(=O)On1cnc2c1CCN(C(=O)O)C2

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 2/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 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
SCHEMBL6420631 0.87 PTGDR2 (0.34) LMNAMAOB
SCHEMBL6422857 0.86 PTGDR2 (0.35) LMNA
SCHEMBL6420518 0.78 CHRM2 (0.36) ALDH1A1LMNA
SCHEMBL6419465 0.73 PDK2 (0.36) POLB
SCHEMBL6419294 0.73 PDK2 (0.37) ALDH1A1KDM4EGAATSHR
SCHEMBL6423885 0.72 PTGDR2 (0.37)
SCHEMBL6420249 0.72 PTGDR2 (0.36) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL6422607 0.72 P2RX7 (0.43) ALDH1A1POLB
SCHEMBL6422824 0.70 CHRM5 (0.41) ALDH1A1POLBGAAMEN1KMT2A
SCHEMBL6420512 0.70 GRIN2B (0.40) ALDH1A1POLBLMNA

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
US-6908926-B1 Substituted imidazoles, their preparation and use NOVO NORDISK A/S (DK) 2005-06-21 US disclosed
EP-1173438-A1 SUBSTITUTED IMIDAZOLES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2002-01-23 EP disclosed
WO-2000063208-A1 SUBSTITUTED IMIDAZOLES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-10-26 WO disclosed