SCHEMBL6590442

SCHEMBL6590442

O=C1NC(c2c(F)c(F)cc(F)c2F)=NC1(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 8/20 0.49
BACE2 Q9Y5Z0 3/20 0.49
CYP2C9 P11712 2/20 0.49
BLM P54132 2/20 0.49
PMP22 Q01453 2/20 0.49
LMNA P02545 1/20 0.49
GLA P06280 1/20 0.49
THRB P10828 1/20 0.49
KMT2A Q03164 1/20 0.49
APP P05067 3/20 0.35
MAPT P10636 4/20 0.34
REN P00797 1/20 0.33
PKM P14618 1/20 0.31
ALDH1A1 P00352 2/20 0.31
CACNA1F O60840 1/20 0.31
HTR2A P28223 1/20 0.31
HRH1 P35367 1/20 0.31
SCN1A P35498 1/20 0.31
SCN4A P35499 1/20 0.31
CACNA1D Q01668 1/20 0.31

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
SCHEMBL6591928 0.77 BACE1 (0.61) BACE1BACE2CYP2C9BLMPMP22
SCHEMBL6589473 0.76 BACE1 (0.53) BACE1BACE2CYP2C9BLMPMP22
SCHEMBL6587931 0.76 BACE1 (0.49) BACE1BACE2CYP2C9BLMPMP22
SCHEMBL6589904 0.73 BACE1 (0.53) BACE1BACE2CYP2C9BLMPMP22
SCHEMBL6584810 0.71 BACE1 (0.54) BACE1BACE2CYP2C9BLMPMP22
SCHEMBL8183941 0.71 BACE1 (0.58) BACE1BACE2CYP2C9BLMPMP22
SCHEMBL6591279 0.70 BACE1 (0.53) BACE1BACE2CYP2C9BLMPMP22
SCHEMBL6593802 0.70 BACE1 (0.49) BACE1BACE2CYP2C9BLMPMP22
SCHEMBL6590512 0.70 BACE1 (0.49) BACE1BACE2CYP2C9BLMPMP22
SCHEMBL6591931 0.70 BACE1 (0.49) BACE1BACE2CYP2C9BLMPMP22

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