SCHEMBL8552841

SCHEMBL8552841

CCCCCN1CCC(c2coc3ccc(NC(=O)c4cccc(OCC)c4)cc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
MEN1 O00255 3/20 0.47
POLB P06746 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 4/20 0.46
TSHR P16473 1/20 0.46
LMNA P02545 2/20 0.45
DRD2 P14416 4/20 0.45
HTR2A P28223 3/20 0.45
NR1H4 Q96RI1 2/20 0.45
DRD3 P35462 2/20 0.45
HTR1A P08908 1/20 0.45
HTR2C P28335 1/20 0.45
ADRA1A P35348 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
SCHEMBL8551530 0.88 DRD2 (0.54) DRD2HTR2ADRD3KCNH2SLC6A4
SCHEMBL8552432 0.87 RORC (0.51) DRD2HTR2ADRD3HTR1AL3MBTL1
SCHEMBL30908802 0.84 HTR1D (0.63) DRD2HTR1A
SCHEMBL7484546 0.84 HTR1D (0.63) DRD2HTR1A
SCHEMBL8549055 0.82 DRD2 (0.51) DRD2HTR2ADRD3SLC6A4
SCHEMBL8549267 0.82 DRD2 (0.46) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL8552647 0.82 DRD2 (0.46) DRD2HTR2ADRD3SLC6A4
SCHEMBL8548622 0.81 DRD2 (0.47) DRD2HTR2ADRD3SLC6A4
SCHEMBL8552921 0.81 DRD2 (0.49) MAPTDRD2HTR2ADRD3SLC6A4
SCHEMBL8551620 0.81 DRD2 (0.48) KMT2ANPC1RAB9AMEN1MAPT

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