SCHEMBL6629348

SCHEMBL6629348

COC(=O)c1cc(C(N)C(=O)OC(C)(C)C)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.42
DPP4 P27487 2/20 0.39
HSD17B10 Q99714 4/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 3/20 0.36
TSHR P16473 1/20 0.36
CFTR P13569 1/20 0.36
ABL1 P00519 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
CYP2C9 P11712 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
GRM8 O00222 1/20 0.34
GRM6 O15303 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
DRD3 P35462 1/20 0.34
GRM4 Q14833 1/20 0.34

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
SCHEMBL12231302 0.90 APP (0.42) APPDPP4HSD17B10ALDH1A1HPGD
SCHEMBL27878879 0.86 HSD17B10 (0.45) APPHSD17B10ALDH1A1HPGDKMT2A
SCHEMBL6141363 0.85 KDM4E (0.48) HSD17B10ALDH1A1HPGDTSHRCFTR
SCHEMBL9930972 0.85 DPP4 (0.35) APPDPP4HSD17B10ALDH1A1HPGD
SCHEMBL27333282 0.83 KDM4E (0.43) APPHSD17B10ALDH1A1HPGDTSHR
SCHEMBL27338051 0.82 ATR (0.33) APPHSD17B10ALDH1A1HPGDTSHR
SCHEMBL1830457 0.82 ATR (0.41) APPHSD17B10ALDH1A1HPGDCFTR
SCHEMBL28177108 0.81 DPP4 (0.42) APPDPP4HSD17B10ALDH1A1HPGD
SCHEMBL3651078 0.80 SIRT6 (0.45) ALDH1A1HPGDKMT2AMEN1TDP1
SCHEMBL27472748 0.78 HSD17B10 (0.45) APPHSD17B10ALDH1A1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487455-A1 MORPHOLINE DERIVATIVES SUBSTITUTED AT THE 2-POSITION BY AN ARYLALKYLUREA GROUP FOR USE AS CCR-3 ANTAGONISTS IN THE TREATMENT OF INFLAMMATORY CONDITIONS GLAXO GROUP LIMITED (GB) 2004-12-22 EP disclosed
WO-2003082292-A1 MORPHOLINE DERIVATIVES SUBSTITUTED AT THE 2-POSITION BY AN ARYLALKYLUREA GROUP FOR USE AS CCR-3 ANTAGONISTS IN THE TREATMENT OF INFLAMMATORY CONDITIONS GLAXO GROUP LIMITED (GB) 2003-10-09 WO disclosed