SCHEMBL8035588

SCHEMBL8035588

C=CCCNCC=CCOc1ccc(C(=O)c2ccccc2C#N)cc1F

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 1/20 0.35
FFAR1 O14842 1/20 0.35
ADRB1 P08588 5/20 0.33
LMNA P02545 1/20 0.32
AR P10275 4/20 0.32
LIG1 P18858 1/20 0.32
ACHE P22303 1/20 0.32
CASP1 P29466 1/20 0.31
VNN1 O95497 1/20 0.31
KMT2A Q03164 2/20 0.31
POLB P06746 1/20 0.31
MEN1 O00255 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
SCHEMBL8047273 0.83 IL2 (0.35) ACHE
SCHEMBL3669504 0.81 LSS (0.46) EZH2LMNAARACHEKMT2A
SCHEMBL3669501 0.81 LSS (0.46) EZH2LMNAARACHEKMT2A
SCHEMBL8035846 0.80 LSS (0.43) LMNAACHEKMT2AMEN1
SCHEMBL7767787 0.75 LSS (0.40) LMNAKMT2AMEN1
SCHEMBL7769001 0.74 THRA (0.39) LMNA
SCHEMBL7772085 0.73 KDM4E (0.34) LMNAPOLB
SCHEMBL7764172 0.73 KDM4E (0.33) LMNAKMT2AMEN1
SCHEMBL7772100 0.73 KDM4E (0.33) LMNAPOLB
SCHEMBL8047705 0.72 PPARD (0.38) LMNA

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
EP-0636367-B1 Use of phenylalkylamines for producing cholesterol lowering agents HOFFMANN LA ROCHE (CH) 2000-03-29 EP claimed