SCHEMBL8552643

SCHEMBL8552643

CCN1CCC(c2csc3ccc(NC(=O)c4ccoc4)cc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.41
TMIGD3 P0DMS9 1/20 0.41
ADORA1 P30542 1/20 0.41
DRD2 P14416 2/20 0.41
SLC6A4 P31645 1/20 0.41
HTR1D P28221 11/20 0.41
MAPK14 Q16539 3/20 0.41
HSPB1 P04792 1/20 0.41
HTR1B P28222 8/20 0.40
HTR1A P08908 1/20 0.40
HTR1F P30939 1/20 0.40
CHRM2 P08172 1/20 0.39
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39

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
SCHEMBL8547499 0.90 HTR1D (0.46) RAB9ATMIGD3ADORA1DRD2SLC6A4
SCHEMBL8553184 0.88 RAB9A (0.41) RAB9ATMIGD3ADORA1DRD2SLC6A4
SCHEMBL8552303 0.87 RAB9A (0.43) RAB9ATMIGD3ADORA1HTR1DMAPK14
SCHEMBL8550584 0.87 RAB9A (0.41) RAB9ATMIGD3ADORA1DRD2HTR1D
SCHEMBL8552316 0.83 NPC1 (0.54) RAB9ADRD2SLC6A4
SCHEMBL8721836 0.82 TMIGD3 (0.41) RAB9ATMIGD3ADORA1DRD2HTR1D
SCHEMBL7479333 0.81 HTR1D (0.62) DRD2HTR1DHTR1BHTR1AHTR1F
SCHEMBL8547605 0.77 RORC (0.45) DRD2SLC6A4HTR1DHTR1BHTR1A
Phosphoric Acid SCHEMBL7866432 0.76 DRD2 (0.44) DRD2SLC6A4HTR1DHTR1BHTR1A
SCHEMBL8549540 0.75 HTR1D (0.48) DRD2SLC6A4HTR1DMAPK14HTR1B

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