SCHEMBL6672937

SCHEMBL6672937

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

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
NR3C1 P04150 1/20 0.34
CNR2 P34972 5/20 0.33
MAPT P10636 3/20 0.33
POLB P06746 1/20 0.33
EPHX2 P34913 1/20 0.33
PDE4B Q07343 2/20 0.32
PDE11A Q9HCR9 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
PDE10A Q9Y233 1/20 0.31

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 0.88 LMNA (0.36) LMNANR3C1CNR2MAPTPOLB
SCHEMBL6672316 0.88 NR3C1 (0.37) LMNANR3C1CNR2MAPT
SCHEMBL6198179 0.81 LMNA (0.35) LMNANR3C1CNR2MAPTPOLB
SCHEMBL6667062 0.71 POLB (0.37) LMNANR3C1CNR2MAPTPOLB
SCHEMBL6666974 0.70 LMNA (0.39) LMNANR3C1CNR2MAPTPOLB
Trifluoroacetic Acid SCHEMBL6198172 0.69 LMNA (0.36) LMNACNR2MAPTPOLBEPHX2
SCHEMBL6198178 0.68 EGLN1 (0.38) LMNANR3C1CNR2
SCHEMBL6201997 0.67 EGLN1 (0.37) LMNANR3C1CNR2EPHX2CYP1A2
SCHEMBL6199942 0.66 NR3C1 (0.39) LMNANR3C1CNR2EPHX2CYP1A2
SCHEMBL8122619 0.65 NR3C1 (0.43) LMNANR3C1CNR2MAPTEPHX2

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