SCHEMBL27398024

SCHEMBL27398024

BC(C)CN1CCN(c2ccc(C)cc2F)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
TP53 P04637 1/20 0.47
IGF1R P08069 2/20 0.44
DRD2 P14416 3/20 0.39
HTR2A P28223 1/20 0.39
HRH1 P35367 1/20 0.39
KMT2A Q03164 2/20 0.39
HTR1A P08908 3/20 0.39
ADRA1B P35368 2/20 0.39
DRD4 P21917 1/20 0.39
ADRA1D P25100 1/20 0.39
HTR1B P28222 1/20 0.39
ADRA1A P35348 1/20 0.39
DRD3 P35462 1/20 0.39
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 1/20 0.39
ACACB O00763 1/20 0.38
HTR7 P34969 1/20 0.38

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
SCHEMBL25815331 0.88 MAPT (0.48) MAPTTP53IGF1RDRD2KMT2A
SCHEMBL27398013 0.87 HTR1A (0.48) DRD2HTR2AHRH1KMT2AHTR1A
SCHEMBL13419252 0.86 MAPT (0.52) MAPTTP53IGF1RDRD2HTR2A
SCHEMBL13419227 0.80 MAPT (0.53) MAPTTP53ALDH1A1SMN1; SMN2LMNA
SCHEMBL13419225 0.77 KCNH2 (0.44) MAPTTP53ALDH1A1SMN1; SMN2LMNA
SCHEMBL20363922 0.77 SLC6A2 (0.46) MAPTTP53DRD2HTR2AKMT2A
SCHEMBL13419336 0.75 MAPT (0.50) MAPTTP53KMT2AHTR1AADRA1B
SCHEMBL15759190 0.75 DRD2 (0.45) DRD2DRD4
SCHEMBL12082239 0.75 ALDH1A1 (0.54) MAPTTP53KMT2AHTR1AADRA1B
SCHEMBL12082405 0.75 ALDH1A1 (0.53) MAPTKMT2AHTR1AALDH1A1SMN1; SMN2

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-2024050370-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF 1CBIO, INC. (US) 2024-03-07 WO disclosed