SCHEMBL27906754

SCHEMBL27906754

O=COCCc1cc2c(F)cccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.44
DDO Q99489 1/20 0.44
MTNR1A P48039 4/20 0.38
MTNR1B P49286 4/20 0.38
FLT3 P36888 2/20 0.36
HRH4 Q9H3N8 2/20 0.36
ALB P02768 3/20 0.36
IL2 P60568 3/20 0.36
RHEB Q15382 1/20 0.35
CTSV O60911 1/20 0.34
CTSL P07711 1/20 0.34
PCSK9 Q8NBP7 1/20 0.33
MAPK1 P28482 1/20 0.33
RPS6KA1 Q15418 1/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
HCRTR1 O43613 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL27491895 0.84 DAO (0.43) DAODDOMTNR1AMTNR1BFLT3
SCHEMBL27524233 0.84 DAO (0.43) DAOMTNR1AMTNR1BFLT3HRH4
SCHEMBL27965811 0.84 PARP1 (0.40) MTNR1AMTNR1BHRH4RHEBCTSV
SCHEMBL28678160 0.82 MTNR1A (0.58) MTNR1AMTNR1BFLT3HRH4MAPT
SCHEMBL27473001 0.82 HRH4 (0.38) MTNR1AMTNR1BHRH4MAPTKDM4E
SCHEMBL28291601 0.82 MTNR1A (0.38) DAODDOMTNR1AMTNR1BRHEB
SCHEMBL27704235 0.80 HRH4 (0.40) MTNR1AMTNR1BHRH4MAPK1MAPT
SCHEMBL28293158 0.80 MTNR1A (0.39) MTNR1AMTNR1BRHEBKDM4EALDH1A1
SCHEMBL27488329 0.77 LOXL2 (0.50) MTNR1AMTNR1B
SCHEMBL28293162 0.77 JAK2 (0.46) MTNR1AMTNR1BKDM4EHPGDALDH1A1

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
CN-102918042-A 8-methyl-1-phenyl-imidazo [1,5-a ] pyrazine compounds MSD OSS BV 2013-02-06 CN disclosed