SCHEMBL8770319

SCHEMBL8770319

CCOC(=O)C(OC)C1CCN(C(=O)NC(=O)c2ccc(C#N)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.41
HTT P42858 2/20 0.41
ALOX15 P16050 1/20 0.41
SLC6A3 Q01959 1/20 0.39
FASN P49327 1/20 0.39
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NAMPT P43490 2/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
DPP4 P27487 1/20 0.37
KDM1A O60341 1/20 0.37

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
SCHEMBL8770629 0.84 KMT2A (0.44) KMT2ASMN1; SMN2HTTALOX15ALDH1A1
SCHEMBL8770643 0.84 ITGB3 (0.50) KMT2ASMN1; SMN2HTTALOX15
SCHEMBL8770620 0.80 ITGB3 (0.55) KMT2ASMN1; SMN2HTTALOX15FASN
SCHEMBL8770324 0.79 KMT2A (0.42) KMT2ASMN1; SMN2HTTALOX15FASN
SCHEMBL30250401 0.71 GAA (0.48) KMT2ASMN1; SMN2HTTALOX15NPC1
Hydrochloric Acid SCHEMBL29268514 0.70 GAA (0.47) KMT2ASMN1; SMN2HTTALOX15NPC1
SCHEMBL28363614 0.68 TDP1 (0.70) KMT2ASMN1; SMN2HTTALDH1A1KDM4E
SCHEMBL7296779 0.67 ITGB3 (0.54) KMT2ASMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL3254358 0.67 L3MBTL1 (0.43) KMT2AALOX15ALDH1A1LMNA
SCHEMBL8770310 0.66 SMN1; SMN2 (0.60) KMT2ASMN1; SMN2HTTALDH1A1NPC1

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