SCHEMBL4435477

SCHEMBL4435477

CN(C)C(=O)CCc1ccc(F)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.43
FFAR1 O14842 2/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
KMT2A Q03164 1/20 0.40
F10 P00742 1/20 0.40
DAO P14920 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
GPR183 P32249 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL31424248 0.85 FFAR1 (0.39) FFAR1KMT2AF10FFAR4
SCHEMBL4425976 0.80 TAAR1 (0.52) FFAR1MAOAMAOBKMT2A
SCHEMBL8270585 0.80 ALDH1A1 (0.52) RIPK1FFAR1MAOAMAOBDAO
SCHEMBL3578367 0.80 IAPP (0.49) RIPK1FFAR1MAOAMAOBDAO
SCHEMBL586063 0.78 FFAR1 (0.58) FFAR1FFAR4
SCHEMBL4435822 0.78 TAAR1 (0.57) RIPK1FFAR1KMT2AF10
SCHEMBL19193176 0.77 FFAR1 (0.42) FFAR1KMT2AF10FFAR4ALDH1A1
SCHEMBL6913578 0.77 CYP4F2 (0.61) RIPK1MAOAMAOBALDH1A1
SCHEMBL11132861 0.77 RAB9A (0.51) FFAR1KMT2AHDAC1HDAC6ALDH1A1
SCHEMBL1874608 0.77 DAO (0.42) RIPK1FFAR1MAOAMAOBDAO

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1805156-A4 PREPARATION AND USE OF BIPHENYL-4-YL-CARBONYLAMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER PHARMACEUTICALS CORP (US) 2009-06-10 EP claimed
EP-1805156-A2 PREPARATION AND USE OF BIPHENYL-4-YL-CARBONYLAMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY Bayer Pharmaceuticals Corporation (US) 2007-07-11 EP claimed
WO-2006044775-A2 PREPARATION AND USE OF BIPHENYL-4-YL-CARBONYLAMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER PHARMACEUTICALS CORPORATION (US) 2006-04-27 WO claimed