SCHEMBL9293602

SCHEMBL9293602

C[C@H](CC(F)(F)F)C(=O)N[C@@H](C)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
POLB P06746 2/20 0.55
CTDSP1 Q9GZU7 1/20 0.55
MMP9 P14780 3/20 0.50
MMP8 P22894 3/20 0.50
HDAC3 O15379 2/20 0.48
HDAC4 P56524 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
MAPT P10636 2/20 0.48
MMP14 P50281 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
NPC1 O15118 1/20 0.48
HSD17B10 Q99714 1/20 0.47
APAF1 O14727 1/20 0.47

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
SCHEMBL9293872 1.00 MEN1 (0.58) MEN1KMT2APOLBCTDSP1MMP9
SCHEMBL9293604 1.00 MEN1 (0.58) MEN1KMT2APOLBCTDSP1MMP9
SCHEMBL27909117 0.79 MEN1 (0.63) MEN1KMT2APOLBCTDSP1MMP9
SCHEMBL28555502 0.79 MEN1 (0.63) MEN1KMT2APOLBCTDSP1MMP9
SCHEMBL9709062 0.78 MME (0.56) MEN1KMT2APOLBMAPTCYP3A4
SCHEMBL16714831 0.76 MEN1 (0.69) MEN1KMT2APOLBCTDSP1MMP9
SCHEMBL25907902 0.76 POLB (0.60) MEN1KMT2APOLBCTDSP1MMP9
SCHEMBL8310909 0.76 MEN1 (0.68) MEN1KMT2APOLBCTDSP1MMP9
SCHEMBL7855088 0.76 MEN1 (0.68) MEN1KMT2APOLBCTDSP1MMP9
SCHEMBL8313972 0.76 MEN1 (0.68) MEN1KMT2APOLBCTDSP1MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0489548-B1 A process for the preparation of 2(R)-methyl-4,4,4-trifluorobutylamine, intermediates, and a process for the preparation of a derivative thereof ZENECA LTD (GB) 1994-12-14 EP disclosed
US-5334765-A Intermediate for leukotriene antagonists IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-08-02 US disclosed
US-5286740-A Leukotrine antagonists; antiinflammatory agnets, antiallergens, treating asthma IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-02-15 US disclosed
US-5274118-A Process for preparing (2R)-methyl-4,4,4-trifluorobutylamine IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-12-28 US disclosed
EP-0489548-A1 A process for the preparation of 2(R)-methyl-4,4,4-trifluorobutylamine, intermediates, and a process for the preparation of a derivative thereof ZENECA LIMITED (GB) 1992-06-10 EP disclosed