SCHEMBL6553669

SCHEMBL6553669

CC(C)(C#N)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
ENPP2 Q13822 1/20 0.36
SIRT2 Q8IXJ6 14/20 0.35
CYP19A1 P11511 2/20 0.33
FLT3 P36888 1/20 0.31
TYRO3 Q06418 1/20 0.31
MERTK Q12866 1/20 0.31
GAS6 Q14393 1/20 0.31
CYP2D6 P10635 1/20 0.30
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
OPRM1 P35372 1/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL13053078 0.80 CYP11B1 (0.42) CYP11B1CYP11B2ENPP2SIRT2
SCHEMBL27975355 0.79 CYP11B1 (0.49) CYP11B1CYP11B2ENPP2SIRT2CYP19A1
SCHEMBL2918068 0.77 CYP19A1 (0.39) CYP11B1CYP11B2CYP19A1
SCHEMBL2915674 0.74 CYP3A4 (0.41) CYP11B1CYP11B2ENPP2CYP19A1
SCHEMBL1807602 0.74 CYP11B1 (0.43) CYP11B1CYP11B2ENPP2SIRT2CYP19A1
SCHEMBL9547341 0.73 CYP11B1 (0.39) CYP11B1CYP11B2ENPP2SIRT2CYP19A1
SCHEMBL9547333 0.73 CYP11B1 (0.39) CYP11B1CYP11B2ENPP2SIRT2CYP19A1
SCHEMBL1097106 0.72 CYP11B1 (0.36) CYP11B1CYP11B2ENPP2SIRT2
SCHEMBL7714934 0.72 CYP11B1 (0.34) CYP11B1CYP11B2ENPP2SIRT2
SCHEMBL7710617 0.72 CYP11B1 (0.34) CYP11B1CYP11B2SIRT2

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-0708179-B1 Glucagon-like insulinotropic peptide analogs, compositions, and methods of use LILLY CO ELI (US) 2004-12-22 EP disclosed
EP-1227151-A1 Glucagon-like insulinotropic peptide analogs, compositions, and methods of use ELI LILLY AND COMPANY (US) 2002-07-31 EP disclosed
US-5512549-A ANTIDIABETIC AGENTS ELI LILLY AND COMPANY (US) 1996-04-30 US disclosed
EP-0708179-A2 Glucagon-like insulinotropic peptide analogs, compositions, and methods of use ELI LILLY AND COMPANY (US) 1996-04-24 EP disclosed