SCHEMBL6590716

SCHEMBL6590716

O=C1NC(c2cccc(C(F)(F)F)c2)=NC1(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
BACE1 P56817 2/20 0.45
BACE2 Q9Y5Z0 2/20 0.45
GLA P06280 1/20 0.45
THRB P10828 1/20 0.45
CYP2C9 P11712 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
KMT2A Q03164 1/20 0.45
NPY5R Q15761 1/20 0.44
SCN2A Q99250 2/20 0.44
NOTUM Q6P988 1/20 0.44
XDH P47989 1/20 0.42
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAOB P27338 1/20 0.41
IDO1 P14902 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
PIN1 Q13526 1/20 0.40

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
SCHEMBL6590512 0.84 BACE1 (0.49) LMNABACE1BACE2GLATHRB
SCHEMBL6587931 0.81 BACE1 (0.49) LMNABACE1BACE2GLATHRB
SCHEMBL6591928 0.80 BACE1 (0.61) LMNABACE1BACE2GLATHRB
SCHEMBL8183941 0.80 BACE1 (0.58) LMNABACE1BACE2GLATHRB
SCHEMBL6591931 0.78 BACE1 (0.49) LMNABACE1BACE2GLATHRB
SCHEMBL6593173 0.78 KMT2A (0.49) LMNABACE1BACE2GLATHRB
SCHEMBL6600448 0.78 BACE1 (0.49) LMNABACE1BACE2GLATHRB
SCHEMBL6593802 0.78 BACE1 (0.49) LMNABACE1BACE2GLATHRB
SCHEMBL6595107 0.76 KMT2A (0.46) LMNABACE1BACE2GLATHRB
SCHEMBL8182638 0.75 BACE1 (0.45) LMNABACE1BACE2GLATHRB

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-1066279-A4 IMIDAZOLONE ANORECTIC AGENTS: II. PHENYL DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2004-09-08 EP disclosed
EP-1066279-A1 IMIDAZOLONE ANORECTIC AGENTS: II. PHENYL DERIVATIVES Bristol-Myers Squibb Company (US) 2001-01-10 EP disclosed
US-6054590-A NEUROPEPTIDE Y (NPY) ANTAGONISTS FOR TREATMENT OF EATING DISORDERS AND PROMOTING WEIGHT LOSS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-04-25 US disclosed
WO-1999048888-A1 IMIDAZOLONE ANORECTIC AGENTS: II. PHENYL DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 1999-09-30 WO disclosed