SCHEMBL25809682

SCHEMBL25809682

CC(C)N1CCCN(c2nccc(C(F)(F)F)n2)CC1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.60
ADRB1 P08588 1/20 0.57
KDM4E B2RXH2 2/20 0.57
PKM P14618 2/20 0.55
KMT2A Q03164 1/20 0.55
ACHE P22303 3/20 0.47
RBP4 P02753 1/20 0.47
SLC6A7 Q99884 1/20 0.46
SORD Q00796 1/20 0.46
ALDH1A1 P00352 1/20 0.45
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
ACACB O00763 3/20 0.43
HRH3 Q9Y5N1 1/20 0.43
PARP1 P09874 1/20 0.42
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41

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
SCHEMBL13677029 0.95 OGA (0.65) OGAADRB1KDM4EPKMKMT2A
SCHEMBL28070992 0.86 ADRB1 (0.73) OGAADRB1KDM4EPKMKMT2A
SCHEMBL8354208 0.83 ADRB1 (0.78) OGAADRB1KDM4EPKMKMT2A
SCHEMBL13286847 0.81 ADRB1 (0.71) OGAADRB1KDM4EPKMKMT2A
SCHEMBL5213688 0.80 ADRB1 (0.52) OGAADRB1KDM4EPKMKMT2A
SCHEMBL12969642 0.79 ADRB1 (0.68) OGAADRB1KDM4EPKMKMT2A
SCHEMBL25803202 0.77 HRH3 (0.59) ACACBHRH3
SCHEMBL10092714 0.77 LMNA (0.50) OGAKDM4EKMT2AACHEALDH1A1
SCHEMBL6199714 0.75 ADRB1 (0.56) OGAADRB1KDM4EPKMKMT2A
SCHEMBL3069202 0.75 PKM (0.77) OGAADRB1KDM4EPKMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023118319-A1 RIFABUTIN ANALOGS FOR THE TREATMENT OF DISEASE BioVersys AG (CH) 2023-06-29 WO disclosed