SCHEMBL6199714

SCHEMBL6199714

O=CC(Cl)N1CCN(c2nccc(C(F)(F)F)n2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.56
OGA O60502 1/20 0.53
PKM P14618 2/20 0.48
KMT2A Q03164 1/20 0.48
SLC6A7 Q99884 1/20 0.48
KDM4E B2RXH2 2/20 0.47
RBP4 P02753 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
PARP1 P09874 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HDAC6 Q9UBN7 1/20 0.41
SORD Q00796 1/20 0.40
ACACB O00763 2/20 0.40
HTR2C P28335 3/20 0.39
HTR2A P28223 2/20 0.39
HTR2B P41595 2/20 0.39
CHRM4 P08173 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
SCHEMBL8354208 0.82 ADRB1 (0.78) ADRB1OGAPKMKMT2ASLC6A7
SCHEMBL13677029 0.80 OGA (0.65) ADRB1OGAPKMKMT2ASLC6A7
SCHEMBL28070992 0.76 ADRB1 (0.73) ADRB1OGAPKMKMT2ASLC6A7
SCHEMBL25809682 0.75 OGA (0.60) ADRB1OGAPKMKMT2ASLC6A7
SCHEMBL12969642 0.75 ADRB1 (0.68) ADRB1OGAPKMKMT2ASLC6A7
SCHEMBL13286847 0.74 ADRB1 (0.71) ADRB1OGAPKMKMT2ASLC6A7
SCHEMBL3556451 0.74 ADRB1 (0.71) ADRB1OGAPKMKMT2ASLC6A7
SCHEMBL1999765 0.73 ADRB1 (0.69) ADRB1OGAPKMKMT2ASLC6A7
SCHEMBL5232026 0.73 SLC6A7 (0.68) ADRB1OGAPKMKMT2ASLC6A7
SCHEMBL230177 0.72 ADRB1 (1.00) ADRB1OGAPKMKMT2ASLC6A7

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-1525199-A1 SUBSTITUTED THIENYL-HYDROXAMIC ACIDS AS HISTONE DEACETYLASE INHIBITORS Argenta Discovery Limited (GB) 2005-04-27 EP disclosed
WO-2004013130-A1 SUBSTITUTED THIENYL-HYDROXAMIC ACIDS AS HISTONE DEACETYLASE INHIBITORS ARGENTA DISCOVERY LIMITED (GB) 2004-02-12 WO disclosed