SCHEMBL3715877

SCHEMBL3715877

CC1[CH]c2ccc(N[C@@H]3COc4c(Br)cccc43)cc2O1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.32
HTR1A P08908 1/20 0.32
HTR7 P34969 1/20 0.32
HTR2B P41595 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
GFER P55789 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL1708581 0.76 POLB (0.31) KDM4ELMNATP53MAPTHTT
SCHEMBL1707705 0.74 LTB4R (0.33) HTR2A
SCHEMBL3716544 0.74 HTR2A (0.33) HTR2AHTR1AHTR7HTR2BTMEM97
SCHEMBL10009234 0.73 FFAR1 (0.48)
SCHEMBL10011831 0.73 FFAR1 (0.48)
SCHEMBL10011110 0.73 FFAR1 (0.48)
SCHEMBL31136608 0.71 HTR1A (0.41) HTR2AHTR1AHTR7HTR2BTMEM97
SCHEMBL26975051 0.66 HTR2B (0.44) HTR2AHTR1AHTR7HTR2BTMEM97
SCHEMBL10011137 0.64 P2RX7 (0.37) HTR1AHTR7HTR2BTMEM97SIGMAR1
SCHEMBL5784635 0.61 MEN1 (0.42) HTR2AHTR2BLMNAMAPTSMN1; 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-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 WO disclosed