SCHEMBL5549685

SCHEMBL5549685

COc1ncc(C(F)(F)F)cc1CN(C(=O)C1CC1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CFTR P13569 9/20 0.46
LIPE Q05469 1/20 0.45
NR1H4 Q96RI1 2/20 0.44
HTT P42858 1/20 0.44
POLQ O75417 1/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
CHRM4 P08173 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL5549681 0.73 CFTR (0.46) CFTRLMNA
SCHEMBL5113785 0.70 DGAT2 (0.53) CFTR
SCHEMBL5106949 0.70 DGAT2 (0.53) CFTR
SCHEMBL5549687 0.69 LMNA (0.50) CFTRLMNA
SCHEMBL9886104 0.69 LMNA (0.43) CFTRMRGPRX4LMNA
SCHEMBL18930910 0.68 RNF4 (0.60) NR1H4HTTLMNA
SCHEMBL16395538 0.68 LMNA (0.42) CFTRHTTMRGPRX4LMNA
SCHEMBL31435386 0.68 LMNA (0.42) CFTRHTTMRGPRX4LMNA
SCHEMBL6957247 0.68 HTT (0.47) NR1H4HTTHDAC1HDAC8HDAC6
SCHEMBL1922639 0.68 PTGDR2 (0.74) PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1807076-A1 N-(PYRIDIN-3-YL)-2-PHENYLBUTANAMIDES AS ANDROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2007-07-18 EP claimed
WO-2006060108-A1 N-(PYRIDIN-3-YL)-2-PHENYLBUTANAMIDES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2006-06-08 WO claimed
EP-1807076-A1 N-(PYRIDIN-3-YL)-2-PHENYLBUTANAMIDES AS ANDROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2007-07-18 EP disclosed
WO-2006060108-A1 N-(PYRIDIN-3-YL)-2-PHENYLBUTANAMIDES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2006-06-08 WO disclosed