SCHEMBL3978842

SCHEMBL3978842

C[C@H](NC(=O)OC(C)(C)C)c1cccc(N2CCOCC2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.60
KCNQ2 O43526 2/20 0.60
KCNQ3 O43525 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP19A1 P11511 1/20 0.60
CYP2C9 P11712 1/20 0.60
KMO O15229 1/20 0.45
USP30 Q70CQ3 1/20 0.45
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
GFER P55789 1/20 0.43
ROCK2 O75116 1/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 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
SCHEMBL6645521 1.00 CYP3A4 (0.60) CYP3A4KCNQ2KCNQ3CYP1A2CYP19A1
SCHEMBL6858656 0.87 MEN1 (0.47) CYP3A4KCNQ2KCNQ3CYP1A2CYP19A1
SCHEMBL782021 0.87 MEN1 (0.47) CYP3A4KCNQ2KCNQ3CYP1A2CYP19A1
SCHEMBL6626168 0.87 MEN1 (0.47) CYP3A4KCNQ2KCNQ3CYP1A2CYP19A1
SCHEMBL17966968 0.87 LMNA (0.48) CYP3A4KCNQ2KCNQ3CYP1A2CYP19A1
SCHEMBL21378587 0.87 LMNA (0.48) CYP3A4KCNQ2KCNQ3CYP1A2CYP19A1
SCHEMBL21378590 0.87 LMNA (0.48) CYP3A4KCNQ2KCNQ3CYP1A2CYP19A1
SCHEMBL5674426 0.86 CYP3A4 (0.47) CYP3A4KCNQ2KCNQ3CYP1A2CYP19A1
SCHEMBL14830816 0.85 MEN1 (0.47) CYP3A4KCNQ2KCNQ3CYP1A2CYP19A1
SCHEMBL6684783 0.85 KCNQ3 (0.45) CYP3A4KCNQ2KCNQ3CYP1A2CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009050227-A1 PYRIDAZINE DERIVATIVES FOR INHIBITING BETA AMYLOID PEPTIDE PRODUCTION GLAXO GROUP LIMITED (GB) 2009-04-23 WO disclosed
WO-2009050227-A1 PYRIDAZINE DERIVATIVES FOR INHIBITING BETA AMYLOID PEPTIDE PRODUCTION GLAXO GROUP LIMITED (GB) 2009-04-23 WO disclosed