SCHEMBL8548237

SCHEMBL8548237

CCCCCOc1ccc(C(=O)Nc2ccc3occ(C4CCN(C)CC4)c3c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
HPGD P15428 1/20 0.53
TSHR P16473 1/20 0.53
TAAR1 Q96RJ0 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MEN1 O00255 3/20 0.49
RAB9A P51151 3/20 0.49
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NR1H4 Q96RI1 2/20 0.48
HTR1F P30939 3/20 0.48
HTR1A P08908 2/20 0.48
HTR1D P28221 1/20 0.47
HTR1B P28222 1/20 0.47
NPC1 O15118 3/20 0.47
GAA P10253 1/20 0.46
DRD2 P14416 1/20 0.45
HTR2A P28223 1/20 0.45
DRD3 P35462 1/20 0.45

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
SCHEMBL7483268 0.83 HTR1D (0.70) HTR1FHTR1AHTR1DHTR1BDRD2
SCHEMBL8551986 0.82 HTR1F (0.68) HTR1FHTR1AHTR1DHTR1BDRD2
SCHEMBL7485137 0.82 HTR1D (0.69) HTR1FHTR1AHTR1DHTR1BDRD2
SCHEMBL8551530 0.81 DRD2 (0.54) HTR1DHTR1BDRD2HTR2ADRD3
SCHEMBL8548604 0.80 HTR1F (0.46) HTR1FHTR1AHTR1DHTR1BDRD2
SCHEMBL8552921 0.80 DRD2 (0.49) MAPTHTR1DHTR1BDRD2HTR2A
SCHEMBL8552841 0.79 KMT2A (0.47) MAPTTSHRMEN1RAB9AKMT2A
SCHEMBL8552432 0.78 RORC (0.51) HTR1FHTR1AHTR1DHTR1BDRD2
SCHEMBL8552447 0.78 DRD2 (0.47) HTR1DHTR1BDRD2HTR2ADRD3
SCHEMBL8381707 0.77 MEN1 (0.47) MAPTTSHRMEN1RAB9AKMT2A

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