SCHEMBL8549074

SCHEMBL8549074

CCCOc1ccc(OC(=O)Nc2ccc3scc(C4CCN(C(C)CC)CC4)c3c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 9/20 0.39
MTNR1A P48039 1/20 0.39
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ACACB O00763 1/20 0.35
DRD2 P14416 1/20 0.35
SLC6A4 P31645 1/20 0.35
CTPS1 P17812 1/20 0.34
GAA P10253 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL7481071 0.84 HTR1D (0.51) DRD2
SCHEMBL8721056 0.83 MCHR1 (0.38) FAAHMTNR1AGAA
SCHEMBL8547967 0.77 MAPT (0.46) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL8553038 0.76 UBE2M (0.42) UBE2MDCUN1D1NPC1RAB9AMEN1
SCHEMBL8551288 0.75 HTR1D (0.40) MEN1KMT2ADRD2SLC6A4
SCHEMBL8552156 0.74 HTR1D (0.34) MTNR1ADRD2SLC6A4
SCHEMBL8552293 0.74 LMNA (0.42) MEN1KMT2ADRD2SLC6A4HSD17B10
SCHEMBL8708863 0.74 UBE2M (0.47) UBE2MDCUN1D1
SCHEMBL8553042 0.73 UBE2M (0.47) UBE2MDCUN1D1
SCHEMBL8552460 0.73 DRD2 (0.38) DRD2SLC6A4

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