SCHEMBL8770310

SCHEMBL8770310

CCOC(=O)C(OC)C1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
CYP2C19 P33261 2/20 0.57
HTT P42858 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
NPSR1 Q6W5P4 1/20 0.51
GRIN2B Q13224 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
CYP2C9 P11712 2/20 0.48
CYP2D6 P10635 1/20 0.48
BRD4 O60885 1/20 0.48
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 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
SCHEMBL10369008 0.86 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL7132652 0.85 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL14514898 0.82 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL4671688 0.82 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL26459627 0.82 ALDH1A1 (0.50) SMN1; SMN2NPC1RAB9ACYP2C19KMT2A
SCHEMBL7658562 0.82 L3MBTL1 (0.68) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL2524171 0.81 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL3933949 0.81 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL15140950 0.81 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL387622 0.81 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9ACYP2C19HTT

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-0632019-B1 Acylureas ZENECA LTD (GB) 1997-09-24 EP disclosed
US-5576334-A ANTICOAGULANTS ZENECA LIMITED (GB) 1996-11-19 US disclosed
EP-0632019-A1 Acylureas ZENECA LIMITED (GB) 1995-01-04 EP disclosed