SCHEMBL8551264

SCHEMBL8551264

CC(C)(C)N1CCC(c2csc3ccc(NC(=O)OC4CC4)cc23)CC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 11/20 0.37
HTR1B P28222 11/20 0.37
HTR1A P08908 2/20 0.37
HTR1F P30939 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
MAOB P27338 1/20 0.35
DRD2 P14416 1/20 0.34
SLC6A4 P31645 1/20 0.34
FAAH O00519 1/20 0.34
MGLL Q99685 1/20 0.34
BCHE P06276 2/20 0.34
ACHE P22303 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
SCHEMBL8551242 0.82 MEN1 (0.43) MEN1KMT2ANPC1RAB9ACYP1A2
SCHEMBL8720869 0.81 ACHE (0.39) HTR1DHTR1BHTR1AHTR1FMEN1
SCHEMBL7485415 0.81 HTR1D (0.60) HTR1DHTR1BHTR1AHTR1FDRD2
SCHEMBL8549350 0.80 NPC1 (0.47) MEN1KMT2ANPC1RAB9ACYP3A4
SCHEMBL8550584 0.79 RAB9A (0.41) HTR1DHTR1BHTR1AHTR1FRAB9A
SCHEMBL8547160 0.78 PNLIP (0.43) MEN1KMT2ADRD2SLC6A4
SCHEMBL8551739 0.78 AURKA (0.43) HTR1DHTR1BHTR1AHTR1FMEN1
SCHEMBL22252224 0.77 CA12 (0.46) ACHE
SCHEMBL8550557 0.72 DRD2 (0.43) HTR1DHTR1BNPC1RAB9AMAPT
SCHEMBL8547605 0.70 RORC (0.45) HTR1DHTR1BHTR1AHTR1FDRD2

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
US-5792763-A MIGRAINES; ANALGESICS; DISEASES LINKED TO DECREASED NEUROTRANMISSION OF SEROTONIN IN MAMMALS ELI LILLY AND COMPANY (US) 1998-08-11 US disclosed
EP-0835869-A2 New serotonin 5-HT1F agonists ELI LILLY AND COMPANY (US) 1998-04-15 EP disclosed