SCHEMBL3150870

SCHEMBL3150870

O=C(O)NCC1(COc2cnc(F)c(-c3ccncc3)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 2/20 0.36
CYP4F2 P78329 1/20 0.36
EGLN1 Q9GZT9 3/20 0.34
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
SIRT3 Q9NTG7 1/20 0.33
FFAR4 Q5NUL3 4/20 0.32
GCK P35557 1/20 0.32
KDM1A O60341 1/20 0.32
WNT3A P56704 1/20 0.32
CYP46A1 Q9Y6A2 2/20 0.32

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
SCHEMBL3151298 0.90 PDK2 (0.38) CYP4A11CYP4F2SIRT2SIRT1SIRT3
SCHEMBL3155882 0.88 FFAR4 (0.36) CYP4A11CYP4F2EGLN1FFAR4
SCHEMBL3137206 0.88 FFAR4 (0.38) EGLN1FFAR4
SCHEMBL3147051 0.87 FFAR4 (0.38) CYP4A11EGLN1FFAR4
SCHEMBL3138314 0.87 EGLN1 (0.46) EGLN1KDM1A
SCHEMBL3151482 0.84 CHRM1 (0.39) EGLN1
SCHEMBL3151348 0.82 EGLN1 (0.39) EGLN1
SCHEMBL3151055 0.81 KDM1A (0.36) KDM1A
SCHEMBL3156091 0.80 CYP4A11 (0.37) CYP4A11CYP4F2EGLN1
Hydrochloric Acid SCHEMBL3774116 0.80 KDM1A (0.35) KDM1A

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
EP-1979321-B9 NOVEL PYRIDINYLAMINOALKYLENE- AND PYRIDINYLOXYALKYLENE-CYCLOPROPANAMINES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2010-02-17 EP disclosed
EP-1979321-B1 NOVEL PYRIDINYLAMINOALKYLENE- AND PYRIDINYLOXYALKYLENE-CYCLOPROPANAMINES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2009-07-29 EP disclosed