SCHEMBL6667290

SCHEMBL6667290

Cc1oc2ccc(NC(=O)c3ccc(F)cc3)nc2c1CCN(C)Cc1ccc2sc(N)nc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 2/20 0.63
HDAC6 Q9UBN7 3/20 0.36
RAB9A P51151 3/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 2/20 0.36
ACKR3 P25106 1/20 0.35
LCK P06239 1/20 0.35
TP53 P04637 2/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
CTNNB1 P35222 1/20 0.34
TCF7L2 Q9NQB0 1/20 0.34
GRM2 Q14416 1/20 0.33
MTTP P55157 2/20 0.33
RXFP1 Q9HBX9 2/20 0.33
DRD2 P14416 1/20 0.33
KCNH2 Q12809 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
Oxalic Acid SCHEMBL6804728 0.76 HTR1F (0.94) HTR1FRAB9AMAPTSMN1; SMN2NPC1
Trifluoromethanesulfonic Acid SCHEMBL8189875 0.72 HTR1F (0.56) HTR1FRAB9AMAPTSMN1; SMN2NPC1
SCHEMBL5906460 0.72 HTR1F (0.59) HTR1FRAB9ANPC1ACKR3HDAC1
SCHEMBL6641956 0.70 HTR1F (0.81) HTR1FRAB9ANPC1TP53CYP1A2
SCHEMBL6647888 0.69 HTR1F (0.75) HTR1FRAB9ASMN1; SMN2NPC1ACKR3
SCHEMBL8548549 0.67 HTR1F (0.50) HTR1FRAB9AMAPTSMN1; SMN2ACKR3
SCHEMBL6668295 0.66 HTR1F (0.44) HTR1FRAB9ASMN1; SMN2NPC1
SCHEMBL5906312 0.65 HTR1F (0.51) HTR1FRAB9ASMN1; SMN2NPC1
SCHEMBL6668691 0.65 HTR1F (0.49) HTR1FRAB9AMAPTSMN1; SMN2NPC1
SCHEMBL6641025 0.64 HTR1F (0.71) HTR1FMAPT

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
EP-1155020-B1 FURO[3,2-B]PYRIDINES AS 5-HT1F AGONISTS LILLY CO ELI (US) 2004-02-04 EP disclosed