SCHEMBL4774562

SCHEMBL4774562

O=[N+]([O-])c1ccc(-c2cc(CCCc3ccccc3)nc(OCCC3CCCCC3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.42
CYP11B1 P15538 4/20 0.42
CYP11B2 P19099 4/20 0.42
VCP P55072 1/20 0.40
LTB4R Q15722 1/20 0.40
CNR2 P34972 1/20 0.40
EPHX1 P07099 1/20 0.38
PTGS2 P35354 3/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
PTGS1 P23219 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
GRIN2B Q13224 2/20 0.36
FAAH O00519 1/20 0.36
PPARG P37231 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL4776778 0.86 NFE2L2 (0.44) VCPLTB4RPTGS2MAPTPTGS1
SCHEMBL4774611 0.82 LTB4R (0.47) CYP19A1CYP11B1CYP11B2LTB4RPTGS2
SCHEMBL4776218 0.81 CYP19A1 (0.42) CYP19A1CYP11B1CYP11B2LTB4RCNR2
SCHEMBL4795011 0.77 PTGIR (0.38) PTGS2
SCHEMBL4779682 0.76 PLA2G2A (0.41) CYP19A1CYP11B1CYP11B2LTB4RPTGS2
SCHEMBL4779677 0.74 EIF4A1 (0.43) CYP19A1CYP11B1CYP11B2LTB4RMAPT
SCHEMBL4778107 0.72 LTB4R (0.48) CYP19A1CYP11B1CYP11B2LTB4RCNR2
SCHEMBL4779650 0.71 MAPT (0.46) CYP19A1CYP11B1CYP11B2LTB4RMAPT
SCHEMBL4778477 0.70 MEN1 (0.45) CYP19A1CYP11B1CYP11B2LTB4RPTGS2
SCHEMBL4774580 0.69 GRIN2B (0.40) CYP19A1CYP11B1CYP11B2CNR2EPHX1

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-2008009963-A2 PYRIMIDINE DERIVATIVES AS MODULATORS OF PARATHYROID HORMONE RECEPTORS JAMES BLACK FOUNDATION LIMITED (GB) 2008-01-24 WO disclosed