SCHEMBL6512169

SCHEMBL6512169

COC(=O)[C@@H](CC(C)C)Nc1nc(Cl)cc(Cc2ccc(OC)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPR3 P17342 2/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
TAS1R3 Q7RTX0 4/20 0.45
TAS1R1 Q7RTX1 4/20 0.45
ANPEP P15144 2/20 0.42
MMP1 P03956 5/20 0.40
MMP3 P08254 2/20 0.40
MMP9 P14780 2/20 0.40
ADAM17 P78536 1/20 0.40
ELANE P08246 3/20 0.39
MMP2 P08253 1/20 0.39

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
SCHEMBL6512165 1.00 NPR3 (0.47) NPR3CYP2C9CYP2C19TAS1R3TAS1R1
SCHEMBL6513446 0.91 MMP1 (0.43) ANPEPMMP1MMP3MMP9ADAM17
SCHEMBL6513438 0.91 MMP1 (0.43) ANPEPMMP1MMP3MMP9ADAM17
SCHEMBL6508225 0.83 NPR3 (0.60) NPR3CYP2C9CYP2C19TAS1R3TAS1R1
SCHEMBL6508232 0.83 NPR3 (0.60) NPR3CYP2C9CYP2C19TAS1R3TAS1R1
SCHEMBL6513788 0.83 TAS1R3 (0.45) NPR3CYP2C9CYP2C19TAS1R3TAS1R1
SCHEMBL6513793 0.83 TAS1R3 (0.45) NPR3CYP2C9CYP2C19TAS1R3TAS1R1
SCHEMBL6511364 0.82 NPR3 (0.45) NPR3CYP2C9CYP2C19TAS1R3TAS1R1
SCHEMBL6511358 0.82 NPR3 (0.45) NPR3CYP2C9CYP2C19TAS1R3TAS1R1
SCHEMBL6507727 0.79 CYP2C9 (0.43) NPR3CYP2C9CYP2C19TAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005003103-A2 2, 4, 6-TRI-SUBSTITUTED 6-MEMBERED HETEROCYCLES AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES ASTRAZENECA AB (SE) 2005-01-13 WO disclosed