SCHEMBL8550328

SCHEMBL8550328

CC(C)c1sc2ccc(NC(=O)c3ccccc3)cc2c1CCN(C)Cc1cnoc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 2/20 0.37
KDR P35968 2/20 0.37
MCHR1 Q99705 2/20 0.36
ACKR3 P25106 1/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGES O14684 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
HDAC1 Q13547 3/20 0.35
HTR1F P30939 1/20 0.35
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
PDPK1 O15530 1/20 0.34
CHEK2 O96017 1/20 0.34
ABL1 P00519 1/20 0.34

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
SCHEMBL8552304 0.83 CA9 (0.39) FLT1KDRMCHR1PTGESHDAC1
SCHEMBL8211589 0.82 HTR1F (0.43) FLT1KDRMCHR1NPC1RAB9A
SCHEMBL5906366 0.71 HTR1F (0.45) NPC1RAB9AHDAC1HTR1FMEN1
SCHEMBL8551441 0.71 ACKR3 (0.49) FLT1KDRMCHR1ACKR3HDAC1
Sulfuric Acid SCHEMBL8551754 0.71 TMEM97 (0.43) MCHR1ACKR3NPC1RAB9ASMN1; SMN2
Oxalic Acid SCHEMBL8553970 0.67 EGFR (0.41) NPC1RAB9AHTR1FMAPTEGFR
SCHEMBL8551502 0.67 HTR1F (0.46) NPC1RAB9AHTR1FTP53MAPT
SCHEMBL8551467 0.65 GRM5 (0.36) KDRNPC1RAB9AHTR1FTP53
SCHEMBL8548549 0.65 HTR1F (0.50) FLT1KDRMCHR1ACKR3RAB9A
SCHEMBL8551891 0.65 HTR1F (0.49) FLT1KDRACKR3HTTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998015545-A1 NEW SEROTONIN 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 1998-04-16 WO disclosed
EP-0835869-A2 New serotonin 5-HT1F agonists ELI LILLY AND COMPANY (US) 1998-04-15 EP disclosed