SCHEMBL6590780

SCHEMBL6590780

N#Cc1cccc(C2=NC(c3ccccc3)(c3ccccc3)C(=O)N2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.49
MAOB P27338 2/20 0.47
BACE2 Q9Y5Z0 2/20 0.46
CTSD P07339 1/20 0.46
LMNA P02545 1/20 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
PGR P06401 3/20 0.44
CHEK1 O14757 1/20 0.44
IDO1 P14902 1/20 0.43
NPY5R Q15761 1/20 0.43
XDH P47989 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42

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
SCHEMBL6599494 0.84 BACE1 (0.49) BACE1MAOBBACE2LMNAGLA
SCHEMBL6591928 0.80 BACE1 (0.61) BACE1BACE2LMNAGLATHRB
SCHEMBL8183941 0.80 BACE1 (0.58) BACE1BACE2CTSDLMNAGLA
SCHEMBL6593173 0.78 KMT2A (0.49) BACE1MAOBBACE2LMNAGLA
SCHEMBL6587931 0.78 BACE1 (0.49) BACE1MAOBBACE2CTSDLMNA
SCHEMBL6600448 0.78 BACE1 (0.49) BACE1BACE2CTSDLMNAGLA
SCHEMBL6591931 0.78 BACE1 (0.49) BACE1BACE2CTSDLMNAGLA
SCHEMBL6593802 0.78 BACE1 (0.49) BACE1BACE2LMNAGLATHRB
SCHEMBL6595107 0.76 KMT2A (0.46) BACE1MAOBBACE2LMNAGLA
SCHEMBL6590716 0.75 LMNA (0.45) BACE1MAOBBACE2LMNAGLA

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