SCHEMBL6672316

SCHEMBL6672316

CCCOC(=O)C(N)C(CCCN)c1cc(F)c2ncc(C(=O)NCc3ccc(Cl)cc3)c(O)c2c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.37
EGLN1 Q9GZT9 1/20 0.35
LMNA P02545 2/20 0.35
THRB P10828 1/20 0.34
MAPT P10636 1/20 0.34
CNR2 P34972 2/20 0.33
GSK3B P49841 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PPARA Q07869 1/20 0.33
CACNA1G O43497 1/20 0.33
CACNA1H O95180 1/20 0.33
CACNA1I Q9P0X4 1/20 0.33
POLA1 P09884 1/20 0.33

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
Trifluoroacetic Acid SCHEMBL6672935 0.96 LMNA (0.36) NR3C1EGLN1LMNATHRBMAPT
SCHEMBL6672937 0.88 LMNA (0.35) NR3C1LMNAMAPTCNR2
SCHEMBL6667062 0.81 POLB (0.37) NR3C1LMNAMAPTCNR2
SCHEMBL6666974 0.80 LMNA (0.39) NR3C1EGLN1LMNATHRBMAPT
SCHEMBL6198178 0.79 EGLN1 (0.38) NR3C1EGLN1LMNATHRBCNR2
SCHEMBL6201997 0.79 EGLN1 (0.37) NR3C1EGLN1LMNATHRBCNR2
SCHEMBL6197986 0.77 EGLN1 (0.49) NR3C1EGLN1LMNACNR2GSK3B
SCHEMBL6199942 0.75 NR3C1 (0.39) NR3C1EGLN1LMNATHRBCNR2
Trifluoroacetic Acid SCHEMBL6198172 0.75 LMNA (0.36) EGLN1LMNAMAPTCNR2
SCHEMBL6198141 0.75 EGLN1 (0.47) NR3C1EGLN1LMNAMAPTCNR2

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-2004019932-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO claimed