SCHEMBL8549816

SCHEMBL8549816

CC(C)CN1CCC(c2coc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 4/20 0.48
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
THRB P10828 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
THRA P10827 1/20 0.44
POLB P06746 2/20 0.44
SETD7 Q8WTS6 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
BLM P54132 1/20 0.43
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
HTR1F P30939 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PPARG P37231 1/20 0.43

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
SCHEMBL30908907 0.84 HTR1D (0.56) L3MBTL1MAPTHTR1AHTR1DHTR1B
SCHEMBL7476509 0.84 HTR1D (0.56) L3MBTL1MAPTHTR1AHTR1DHTR1B
SCHEMBL8552657 0.84 L3MBTL1 (0.49) L3MBTL1MAPTMEN1KMT2ATHRB
SCHEMBL8547100 0.82 DRD2 (0.43) RAB9AHTR1AHTR1DHTR1BHTR1F
SCHEMBL8547695 0.74 DRD2 (0.42)
SCHEMBL8548604 0.74 HTR1F (0.46) HTR1AHTR1DHTR1BHTR1F
SCHEMBL8551530 0.73 DRD2 (0.54) HTR1DHTR1B
SCHEMBL8551958 0.72 DRD2 (0.57) HTR1DHTR1B
SCHEMBL8552841 0.72 KMT2A (0.47) L3MBTL1MAPTMEN1KMT2ATHRB
SCHEMBL8552432 0.72 RORC (0.51) L3MBTL1HTR1AHTR1DHTR1BHTR1F

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