SCHEMBL1708707

SCHEMBL1708707

Cc1nc2ccc(F)cc2n1-c1cccc2c1OC[C@H]2Nc1ccc2c(c1)CO[C@H]2CC(=O)O

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.32
HTR1A P08908 2/20 0.32
HTR1D P28221 2/20 0.32
SLC6A4 P31645 2/20 0.32
HTR1B P28222 1/20 0.32
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ADORA2B P29275 1/20 0.31
CHEK1 O14757 1/20 0.30
ATR Q13535 1/20 0.30
PDCD1 Q15116 1/20 0.30
ATRIP Q8WXE1 1/20 0.30
CD274 Q9NZQ7 1/20 0.30

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
SCHEMBL1708682 0.93 BMI1 (0.32) FFAR1HTR1AHTR1DSLC6A4HTR1B
SCHEMBL1708717 0.91 TSHR (0.34) FFAR1TSHRSMN1; SMN2
SCHEMBL1708708 0.91 HTR1A (0.32) HTR1AHTR1DSLC6A4HTR1B
SCHEMBL1708671 0.90 KDR (0.31) FFAR1
SCHEMBL1708685 0.90 FFAR1 (0.32) FFAR1HTR1AHTR1DSLC6A4HTR1B
SCHEMBL1708716 0.89
SCHEMBL1708668 0.88 SCN9A (0.33) SMN1; SMN2
SCHEMBL1708626 0.86 FFAR1 (0.40) FFAR1
SCHEMBL1708394 0.86 FFAR1 (0.40) FFAR1
SCHEMBL1708286 0.86 FFAR1 (0.40) FFAR1

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
EP-2440541-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-04-18 EP disclosed
WO-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 WO disclosed