SCHEMBL21739939

SCHEMBL21739939

CC[C@@H](CN(C)C)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.61
HRH1 P35367 4/20 0.61
TDP1 Q9NUW8 1/20 0.59
CCR5 P51681 1/20 0.59
SLC6A2 P23975 5/20 0.48
SLC6A4 P31645 5/20 0.48
SLC6A3 Q01959 5/20 0.48
TSHR P16473 2/20 0.46
LMNA P02545 3/20 0.45
AOC3 Q16853 3/20 0.44
OPRM1 P35372 2/20 0.41
CYP2D6 P10635 2/20 0.41
KCNH2 Q12809 2/20 0.41
CYP1A2 P05177 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
ADRA2A P08913 1/20 0.41
CHRM1 P11229 1/20 0.41
ADRA2B P18089 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
SCHEMBL3428926 1.00 HTR2A (0.61) HTR2AHRH1TDP1CCR5SLC6A2
SCHEMBL21739938 1.00 HTR2A (0.61) HTR2AHRH1TDP1CCR5SLC6A2
SCHEMBL8754723 0.89 HTR2A (0.70) HTR2AHRH1TDP1CCR5SLC6A2
SCHEMBL169508 0.81 LMNA (0.56) HTR2AHRH1TDP1CCR5LMNA
SCHEMBL7306592 0.81 HTR2A (0.59) HTR2AHRH1TDP1SLC6A2SLC6A4
SCHEMBL7306585 0.81 HTR2A (0.59) HTR2AHRH1TDP1SLC6A2SLC6A4
SCHEMBL9807100 0.81 HTR2A (0.59) HTR2AHRH1TDP1SLC6A2SLC6A4
SCHEMBL12712357 0.81 HTR2A (0.59) HTR2AHRH1TDP1CCR5SLC6A2
SCHEMBL9807099 0.81 HTR2A (0.59) HTR2AHRH1TDP1CCR5SLC6A2
SCHEMBL3425439 0.81 CCR5 (0.53) HTR2AHRH1TDP1CCR5SLC6A2

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
WO-2022261243-A1 COMBINATION THERAPIES WITH SETD2 INHIBITORS Epizyme, Inc. (US) 2022-12-15 WO disclosed
WO-2020037079-A1 SUBSTITUTED INDOLES AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2020-02-20 WO disclosed