SCHEMBL25803203

SCHEMBL25803203

C[N+]1(C)CCCN(c2nccc(C(F)(F)F)n2)CC1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.58
KDM4E B2RXH2 2/20 0.52
PKM P14618 2/20 0.50
KMT2A Q03164 1/20 0.50
RBP4 P02753 1/20 0.48
OGA O60502 1/20 0.46
SLC6A7 Q99884 1/20 0.45
ALDH1A1 P00352 1/20 0.43
PARP1 P09874 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
HTR2C P28335 5/20 0.41
HTR2A P28223 4/20 0.41
HTR2B P41595 4/20 0.41
IDH2 P48735 1/20 0.39
SORD Q00796 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
SCHEMBL28070992 0.84 ADRB1 (0.73) ADRB1KDM4EPKMKMT2ARBP4
SCHEMBL13286847 0.82 ADRB1 (0.71) ADRB1KDM4EPKMKMT2ARBP4
SCHEMBL8354208 0.81 ADRB1 (0.78) ADRB1KDM4EPKMKMT2ARBP4
SCHEMBL12969642 0.77 ADRB1 (0.68) ADRB1KDM4EPKMKMT2ARBP4
SCHEMBL3556451 0.76 ADRB1 (0.71) ADRB1KDM4EPKMKMT2ARBP4
SCHEMBL1999765 0.75 ADRB1 (0.69) ADRB1KDM4EPKMKMT2ARBP4
SCHEMBL2005654 0.75 ADRB1 (0.89) ADRB1KDM4EPKMKMT2ARBP4
SCHEMBL13059857 0.75 ADRB1 (0.61) ADRB1KDM4EPKMKMT2ARBP4
SCHEMBL25809682 0.75 OGA (0.60) ADRB1KDM4EPKMKMT2ARBP4
SCHEMBL14923154 0.74 ADRB1 (0.64) ADRB1KDM4EPKMKMT2ARBP4

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