SCHEMBL23733151

SCHEMBL23733151

O=C(Nc1cccc(C(=O)N2CCOCC2)n1)c1c(F)cc(F)cc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 7/20 0.58
HTR2C P28335 2/20 0.58
CHRM5 P08912 1/20 0.58
DRD5 P21918 1/20 0.58
HTR1D P28221 1/20 0.58
HTR1E P28566 1/20 0.58
HTR7 P34969 1/20 0.58
OPRK1 P41145 1/20 0.58
TMEM97 Q5BJF2 1/20 0.58
SIGMAR1 Q99720 1/20 0.58
HTR1A P08908 1/20 0.58
HTR1B P28222 1/20 0.58
HTR2A P28223 1/20 0.58
HTR2B P41595 1/20 0.58
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
TRPM8 Q7Z2W7 1/20 0.42
USP2 O75604 1/20 0.42

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
SCHEMBL21712155 0.86 HTR1F (0.70) HTR1FHTR2CCHRM5DRD5HTR1D
SCHEMBL21712174 0.83 HTR1F (0.65) HTR1FHTR2CCHRM5DRD5HTR1D
SCHEMBL23733275 0.78 MEN1 (0.62) HTR1FHTR2CCHRM5DRD5HTR1D
SCHEMBL13270112 0.77 IRAK4 (0.41) HTR1FHTR2CCHRM5DRD5HTR1D
SCHEMBL23733250 0.75 HTR1F (0.61) HTR1FHTR2CCHRM5DRD5HTR1D
SCHEMBL28807271 0.75 HTR1F (0.79) HTR1FHTR2CCHRM5DRD5HTR1D
SCHEMBL23702725 0.74 HTR1F (0.60) HTR1FHTR2CCHRM5DRD5HTR1D
SCHEMBL29031439 0.74 HTR1F (0.73) HTR1FHTR2CCHRM5DRD5HTR1D
SCHEMBL4083187 0.74 SMN1; SMN2 (0.58) MEN1KMT2ANPC1RAB9AMAPK1
SCHEMBL13903425 0.74 HTR2C (0.42) HTR2CNPC1RAB9AUSP2MAPK1

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-2021152462-A1 PROCESS FOR PREPARATION OF LASMIDITAN GLENMARK LIFE SCIENCES LIMITED (IN) 2021-08-05 WO disclosed