SCHEMBL4200958

SCHEMBL4200958

O=C(NC1CCOCC1)c1cc(Cl)ccc1NC(=O)c1cccc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.62
CNR1 P21554 3/20 0.62
MEN1 O00255 1/20 0.57
RAB9A P51151 1/20 0.57
KMT2A Q03164 1/20 0.57
DRD4 P21917 6/20 0.53
GFER P55789 1/20 0.48
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
BACE1 P56817 1/20 0.47
SERPINE1 P05121 2/20 0.47
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.45

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
SCHEMBL4199317 0.89 CNR1 (0.73) CNR2CNR1MEN1RAB9AKMT2A
SCHEMBL5258216 0.85 CNR1 (0.67) CNR2CNR1MEN1RAB9AKMT2A
SCHEMBL4195045 0.81 MEN1 (0.57) CNR2CNR1MEN1RAB9AKMT2A
SCHEMBL4190787 0.80 CNR1 (0.65) CNR2CNR1MEN1RAB9AKMT2A
SCHEMBL5258790 0.79 HTT (0.70) CNR2CNR1MEN1RAB9AKMT2A
SCHEMBL5259884 0.79 CNR1 (0.73) CNR2CNR1MEN1RAB9AKMT2A
SCHEMBL4194303 0.79 CNR1 (0.90) CNR2CNR1MEN1RAB9AKMT2A
SCHEMBL1308410 0.78 GFER (0.76) CNR2CNR1MEN1RAB9AKMT2A
SCHEMBL5236479 0.78 CNR1 (0.73) CNR2CNR1NPC1ALDH1A1BACE1
SCHEMBL5261323 0.78 HTT (0.62) CNR2CNR1MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756044-A1 THERAPEUTIC COMPOUNDS AstraZeneca AB (SE) 2007-02-28 EP claimed
WO-2005115972-A1 THERAPEUTIC COMPOUNDS ASTRAZENECA AB (SE) 2005-12-08 WO claimed
EP-1756044-A1 THERAPEUTIC COMPOUNDS AstraZeneca AB (SE) 2007-02-28 EP disclosed
WO-2005115972-A1 THERAPEUTIC COMPOUNDS ASTRAZENECA AB (SE) 2005-12-08 WO disclosed