SCHEMBL8548442

SCHEMBL8548442

CNCCc1c(C)oc2ccc(NC(=O)c3ccc(F)cc3)cc12

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 3/20 0.48
MAPT P10636 5/20 0.45
TP53 P04637 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTR1A P08908 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
APEX1 P27695 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PTPN1 P18031 1/20 0.42
RAB9A P51151 4/20 0.42
NPC1 O15118 2/20 0.42
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
ATM Q13315 1/20 0.41
SNCA P37840 1/20 0.41
MITF O75030 1/20 0.41

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
SCHEMBL8552580 0.86 HTR1F (0.65) HTR1FMAPTTP53SMN1; SMN2MEN1
SCHEMBL8548445 0.83 HTR1F (0.45) HTR1FMAPTTP53SMN1; SMN2MEN1
SCHEMBL8548549 0.80 HTR1F (0.50) HTR1FMAPTTP53SMN1; SMN2HTR1A
SCHEMBL7141265 0.78 HTR1F (0.76) HTR1FMAPTTP53SMN1; SMN2MEN1
SCHEMBL8547488 0.75 HTR1F (0.53) HTR1FMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL8552089 0.75 HTR1F (0.52) HTR1FMAPTTP53SMN1; SMN2MEN1
SCHEMBL8547965 0.74 KMT2A (0.39) HTR1FMAPTTP53SMN1; SMN2MEN1
SCHEMBL8549636 0.73 HTR1F (0.51) HTR1FMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL8549211 0.73 HTR1F (0.49) HTR1FMAPTKDM4EALDH1A1TDP1
SCHEMBL7866630 0.72 MPO (0.64) HTR1FMAPTMEN1KMT2AHTR1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5792763-A MIGRAINES; ANALGESICS; DISEASES LINKED TO DECREASED NEUROTRANMISSION OF SEROTONIN IN MAMMALS ELI LILLY AND COMPANY (US) 1998-08-11 US disclosed
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