SCHEMBL8551242

SCHEMBL8551242

CC(C)N1CCC(c2csc3ccc(NC(=O)OC4CCCCCCC4)cc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
FAAH O00519 1/20 0.42
MGLL Q99685 1/20 0.42
HRH3 Q9Y5N1 3/20 0.39
PLA2G4A P47712 1/20 0.38
MAOB P27338 3/20 0.38
BCHE P06276 2/20 0.37
ACHE P22303 2/20 0.37
IDO1 P14902 1/20 0.37
CYSLTR2 Q9NS75 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.37

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
SCHEMBL8551264 0.82 HTR1D (0.37) MEN1KMT2ANPC1RAB9ACYP1A2
SCHEMBL7489353 0.82 HTR1D (0.58)
SCHEMBL8720869 0.81 ACHE (0.39) MEN1KMT2ANPC1RAB9ACYP1A2
SCHEMBL8547892 0.79 HTR1D (0.46) HRH3BCHE
SCHEMBL8548440 0.78 CA2 (0.43) MEN1KMT2A
SCHEMBL8551288 0.78 HTR1D (0.40) MEN1KMT2AMAPTHRH3
SCHEMBL8547952 0.78 HTR1D (0.45) RAB9ACYP3A4HRH3BCHE
SCHEMBL8552303 0.77 RAB9A (0.43) NPC1RAB9AHRH3
SCHEMBL8547896 0.77 DRD2 (0.37) MAPTHRH3
SCHEMBL8548444 0.77 ALDH1A1 (0.39) HRH3

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