SCHEMBL8548549

SCHEMBL8548549

Cc1oc2ccc(NC(=O)c3ccc(F)cc3)cc2c1CCN(C)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 3/20 0.50
ACKR3 P25106 2/20 0.49
TMEM97 Q5BJF2 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
PDPK1 O15530 1/20 0.46
CHEK2 O96017 1/20 0.46
ABL1 P00519 1/20 0.46
EGFR P00533 1/20 0.46
ERBB2 P04626 1/20 0.46
NTRK1 P04629 1/20 0.46
MET P08581 1/20 0.46
PDGFRB P09619 1/20 0.46
KIT P10721 1/20 0.46
FGFR1 P11362 1/20 0.46
SRC P12931 1/20 0.46
PDGFRA P16234 1/20 0.46
FLT1 P17948 1/20 0.46
CSNK2A2 P19784 1/20 0.46
FGFR2 P21802 1/20 0.46
FGFR4 P22455 1/20 0.46

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
SCHEMBL8551588 0.87 TMEM97 (0.48) HTR1FACKR3TMEM97SIGMAR1PDPK1
SCHEMBL8552580 0.86 HTR1F (0.65) HTR1FMAPTTP53MCHR1POLB
SCHEMBL8548442 0.80 HTR1F (0.48) HTR1FMAPTTP53SMN1; SMN2KCNK3
SCHEMBL8553330 0.79 NPC1 (0.38) HTR1FPDPK1CHEK2ABL1EGFR
SCHEMBL8549366 0.78 TP53 (0.41) HTR1FMAPTTP53SMN1; SMN2CTNNB1
SCHEMBL8551441 0.77 ACKR3 (0.49) HTR1FACKR3TMEM97SIGMAR1PDPK1
Hydrochloric Acid SCHEMBL8548396 0.77 SMN1; SMN2 (0.38) HTR1FMAPTPOLBSMN1; SMN2RAB9A
Hydrochloric Acid SCHEMBL8551686 0.77 TP53 (0.40) HTR1FMAPTTP53SMN1; SMN2CTNNB1
SCHEMBL8551043 0.77 HTR1F (0.42) HTR1FMAPK1MAPTTP53POLB
SCHEMBL8547488 0.77 HTR1F (0.53) HTR1FMAPTMCHR1POLBSMN1; 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 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