SCHEMBL8552657

SCHEMBL8552657

CC(C)CN1CCC(c2csc3ccc(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 3/20 0.48
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
THRB P10828 1/20 0.45
CYP2C9 P11712 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
THRA P10827 1/20 0.44
POLB P06746 2/20 0.44
SETD7 Q8WTS6 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
BLM P54132 1/20 0.43
ALDH1A1 P00352 2/20 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
CASP3 P42574 1/20 0.42

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
SCHEMBL7476509 0.84 HTR1D (0.56) L3MBTL1MAPTHTR1AHTR1DHTR1B
SCHEMBL8549816 0.84 L3MBTL1 (0.49) L3MBTL1MAPTMEN1KMT2ATHRB
SCHEMBL30908907 0.84 HTR1D (0.56) L3MBTL1MAPTHTR1AHTR1DHTR1B
SCHEMBL8725911 0.82 MEN1 (0.45) L3MBTL1MAPTMEN1KMT2ATHRA
SCHEMBL8547871 0.81 HTR1D (0.43) MAPTRAB9AALDH1A1HTR1AHTR1D
SCHEMBL8552124 0.79 DRD2 (0.43) MAPTMEN1KMT2APOLBRAB9A
SCHEMBL8551514 0.76 ALDH1A1 (0.42) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL8704937 0.76 DRD2 (0.44) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL8547605 0.75 RORC (0.45) HTR1AHTR1DHTR1BHTR1F
SCHEMBL8550058 0.74 DRD2 (0.41) HTR1AHTR1DHTR1BHTR1F

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