SCHEMBL8553184

SCHEMBL8553184

CCC(CC)N1CCC(c2csc3ccc(NC(=O)c4ccoc4)cc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.41
TMIGD3 P0DMS9 1/20 0.41
ADORA1 P30542 1/20 0.41
MAPK14 Q16539 3/20 0.39
HSPB1 P04792 1/20 0.39
HTR1D P28221 11/20 0.38
HTR1B P28222 8/20 0.38
HTR1A P08908 2/20 0.38
HTR1F P30939 2/20 0.38
KCNK3 O14649 1/20 0.37
KCNK9 Q9NPC2 1/20 0.37
DRD2 P14416 2/20 0.35
SLC6A4 P31645 1/20 0.35
CHRM2 P08172 1/20 0.34
RORC P51449 1/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL8552303 0.90 RAB9A (0.43) RAB9ATMIGD3ADORA1MAPK14HSPB1
SCHEMBL8552643 0.88 RAB9A (0.41) RAB9ATMIGD3ADORA1MAPK14HSPB1
SCHEMBL8550584 0.85 RAB9A (0.41) RAB9ATMIGD3ADORA1MAPK14HSPB1
SCHEMBL8547499 0.84 HTR1D (0.46) RAB9ATMIGD3ADORA1MAPK14HSPB1
SCHEMBL8553071 0.84 KMT2A (0.47) RAB9ANPC1TP53SMN1; SMN2
SCHEMBL7485124 0.82 HTR1D (0.56) HTR1DHTR1BHTR1AHTR1FDRD2
SCHEMBL30909189 0.82 HTR1D (0.56) HTR1DHTR1BHTR1AHTR1FDRD2
SCHEMBL8552293 0.82 LMNA (0.42) HTR1DHTR1BDRD2SLC6A4
SCHEMBL8548010 0.82 DRD2 (0.40) HTR1DHTR1BHTR1AHTR1FDRD2
SCHEMBL8704365 0.81 DRD2 (0.42) RAB9AHTR1DHTR1BDRD2SLC6A4

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