SCHEMBL23733271

SCHEMBL23733271

Cc1cccc(NC(=O)c2c(F)cc(F)cc2F)n1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.72
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
HTR1F P30939 2/20 0.57
CHRM5 P08912 1/20 0.57
DRD5 P21918 1/20 0.57
HTR1D P28221 1/20 0.57
HTR1E P28566 1/20 0.57
HTR7 P34969 1/20 0.57
OPRK1 P41145 1/20 0.57
TMEM97 Q5BJF2 1/20 0.57
SIGMAR1 Q99720 1/20 0.57
HTR1A P08908 1/20 0.57
HTR1B P28222 1/20 0.57
HTR2A P28223 1/20 0.57
HTR2C P28335 1/20 0.57
HTR2B P41595 1/20 0.57
RAB9A P51151 3/20 0.57
NPC1 O15118 2/20 0.57
GBA1 P04062 2/20 0.57

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
SCHEMBL23733250 0.83 HTR1F (0.61) GRM5MEN1KMT2AHTR1FCHRM5
SCHEMBL1196838 0.82 MEN1 (0.62) GRM5MEN1KMT2AHTR1FCHRM5
SCHEMBL23733275 0.82 MEN1 (0.62) GRM5MEN1KMT2AHTR1FCHRM5
SCHEMBL28809348 0.82 MEN1 (0.62) GRM5MEN1KMT2AHTR1FCHRM5
SCHEMBL23702725 0.82 HTR1F (0.60) GRM5MEN1KMT2AHTR1FCHRM5
SCHEMBL23702723 0.81 HTR1F (0.58) GRM5MEN1KMT2AHTR1FCHRM5
SCHEMBL28326270 0.79 GRM5 (0.76) GRM5KMT2ARAB9ANPC1GBA1
SCHEMBL31052662 0.78 KMT2A (0.56) GRM5MEN1KMT2AHTR1FCHRM5
SCHEMBL5026565 0.78 GRM5 (0.82) GRM5MEN1KMT2ARAB9ANPC1
SCHEMBL14319835 0.77 MEN1 (1.00) GRM5MEN1KMT2ARAB9ANPC1

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