SCHEMBL8552303

SCHEMBL8552303

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.43
TMIGD3 P0DMS9 1/20 0.41
ADORA1 P30542 1/20 0.41
HTR1F P30939 4/20 0.40
HTR1A P08908 3/20 0.40
HTR1D P28221 3/20 0.40
HTR1B P28222 2/20 0.40
MAPK14 Q16539 6/20 0.39
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
HSPB1 P04792 1/20 0.39
HRH3 Q9Y5N1 2/20 0.36
RORC P51449 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL8553184 0.90 RAB9A (0.41) RAB9ATMIGD3ADORA1HTR1FHTR1A
SCHEMBL8550584 0.87 RAB9A (0.41) RAB9ATMIGD3ADORA1HTR1FHTR1A
SCHEMBL8552643 0.87 RAB9A (0.41) RAB9ATMIGD3ADORA1HTR1FHTR1A
SCHEMBL8547499 0.83 HTR1D (0.46) RAB9ATMIGD3ADORA1HTR1FHTR1A
SCHEMBL8721836 0.82 TMIGD3 (0.41) RAB9ATMIGD3ADORA1HTR1FHTR1A
SCHEMBL7488488 0.81 HTR1D (0.58) HTR1FHTR1AHTR1DHTR1B
SCHEMBL8551434 0.80 EPHX2 (0.48) RAB9AHTR1FHTR1AHTR1DHTR1B
SCHEMBL8551242 0.77 MEN1 (0.43) RAB9AHRH3NPC1
SCHEMBL8548440 0.77 CA2 (0.43)
SCHEMBL8547952 0.76 HTR1D (0.45) RAB9AHTR1DHTR1BHRH3SMN1; SMN2

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