SCHEMBL5779727

SCHEMBL5779727

COc1ccc(C(O)c2ccccc2)c(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.45
ADORA2A P29274 2/20 0.43
ADORA1 P30542 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
AKR1C4 P17516 1/20 0.41
AKR1C1 Q04828 1/20 0.41
ACP3 P15309 1/20 0.39
LMNA P02545 2/20 0.39
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
BACE1 P56817 1/20 0.38
GABBR2 O75899 1/20 0.38

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
SCHEMBL4080242 0.82 KMT2A (0.46) MEN1KMT2AACP3LMNAGAA
SCHEMBL6550407 0.78 MEN1 (0.48) MEN1KMT2ALMNAGAAMAPT
SCHEMBL3823999 0.78 TYR (0.52) ACP3LMNAMAPTATMBACE1
SCHEMBL11857411 0.78 ACP3 (0.42) MEN1KMT2AACP3LMNAMTNR1A
SCHEMBL18818974 0.77 NOS2 (0.46) MEN1KMT2AACP3LMNAGAA
SCHEMBL4089387 0.77 ADORA2A (0.46) ADORA2AADORA1ACP3LMNAGAA
SCHEMBL15532555 0.77 ADORA2A (0.46) ADORA2AADORA1MEN1KMT2AACP3
SCHEMBL2285278 0.77 LMNA (0.44) MEN1KMT2AACP3LMNAGAA
SCHEMBL13784396 0.76 AR (0.43) EPHX2AKR1C3AKR1C2AKR1C4AKR1C1
SCHEMBL3289370 0.76 ACP3 (0.57) ADORA2AADORA1MEN1KMT2AACP3

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-1620395-A1 AZETIDINECARBOXAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CB1 RECEPTOR MEDIATED DISORDERS VERNALIS RESEARCH LIMITED (GB) 2006-02-01 EP disclosed
WO-2004096763-A1 AZETIDINECARBOXAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CB1 RECEPTOR MEDIATED DISORDERS VERNALIS RESEARCH LIMITED (GB) 2004-11-11 WO disclosed